5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone

C177H199ClN36O9 — CID 163939723

IUPAC5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
SMILESCCn1c(-c2cnc(-c3ccccc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3ccc(C(=O)N(Cc4ccccc4)c4ccccc4)n3CC3CC3)n(C)c12.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12.Cn1c(-c2cnc(-c3ccc(Cl)cc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-c2cnc(CCc3ccccc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-c2cnc(Cc3ccccc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21
InChIInChI=1S/C37H40N6O3.C29H34N6O.C28H32N6O2.2C28H32N6O.C27H29ClN6O/c1-40-34-30(20-27(21-33(34)46-2)36(44)41-19-9-12-28(38)24-41)39-35(40)31-17-18-32(43(31)23-26-15-16-26)37(45)42(29-13-7-4-8-14-29)22-25-10-5-3-6-11-25;1-33-25-13-12-22(29(36)34-15-5-8-23(30)19-34)16-24(25)32-28(33)26-17-31-27(35(26)18-21-9-10-21)14-11-20-6-3-2-4-7-20;1-32-25-22(13-20(14-24(25)36-2)28(35)33-12-6-9-21(29)17-33)31-27(32)23-15-30-26(19-7-4-3-5-8-19)34(23)16-18-10-11-18;1-32-24-12-11-21(28(35)33-13-5-8-22(29)18-33)15-23(24)31-27(32)25-16-30-26(34(25)17-20-9-10-20)14-19-6-3-2-4-7-19;1-2-33-24-13-12-21(28(35)32-14-6-9-22(29)18-32)15-23(24)31-27(33)25-16-30-26(20-7-4-3-5-8-20)34(25)17-19-10-11-19;1-32-23-11-8-19(27(35)33-12-2-3-21(29)16-33)13-22(23)31-26(32)24-14-30-25(34(24)15-17-4-5-17)18-6-9-20(28)10-7-18/h3-8,10-11,13-14,17-18,20-21,26,28H,9,12,15-16,19,22-24,38H2,1-2H3;2-4,6-7,12-13,16-17,21,23H,5,8-11,14-15,18-19,30H2,1H3;3-5,7-8,13-15,18,21H,6,9-12,16-17,29H2,1-2H3;2-4,6-7,11-12,15-16,20,22H,5,8-10,13-14,17-18,29H2,1H3;3-5,7-8,12-13,15-16,19,22H,2,6,9-11,14,17-18,29H2,1H3;6-11,13-14,17,21H,2-5,12,15-16,29H2,1H3/t28-;23-;21-;2*22-;21-/m111111/s1
InChIKeyRPYPIOHKHXWHJG-MDLRNUBJSA-N
MW3010.23 g/mol
LogP27.44
Rot. Bonds39

About 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone

5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone (PubChem CID 163939723) has the molecular formula C177H199ClN36O9 and a molecular weight of 3010.23 g/mol. Its IUPAC name is 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone.

Molecular Properties

Compound Name5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
PubChem CID163939723
Molecular FormulaC177H199ClN36O9
Molecular Weight3010.23 g/mol
Exact Mass3007.59
IUPAC Name5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
SMILESCCn1c(-c2cnc(-c3ccccc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3ccc(C(=O)N(Cc4ccccc4)c4ccccc4)n3CC3CC3)n(C)c12.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12.Cn1c(-c2cnc(-c3ccc(Cl)cc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-c2cnc(CCc3ccccc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-c2cnc(Cc3ccccc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21
InChIInChI=1S/C37H40N6O3.C29H34N6O.C28H32N6O2.2C28H32N6O.C27H29ClN6O/c1-40-34-30(20-27(21-33(34)46-2)36(44)41-19-9-12-28(38)24-41)39-35(40)31-17-18-32(43(31)23-26-15-16-26)37(45)42(29-13-7-4-8-14-29)22-25-10-5-3-6-11-25;1-33-25-13-12-22(29(36)34-15-5-8-23(30)19-34)16-24(25)32-28(33)26-17-31-27(35(26)18-21-9-10-21)14-11-20-6-3-2-4-7-20;1-32-25-22(13-20(14-24(25)36-2)28(35)33-12-6-9-21(29)17-33)31-27(32)23-15-30-26(19-7-4-3-5-8-19)34(23)16-18-10-11-18;1-32-24-12-11-21(28(35)33-13-5-8-22(29)18-33)15-23(24)31-27(32)25-16-30-26(34(25)17-20-9-10-20)14-19-6-3-2-4-7-19;1-2-33-24-13-12-21(28(35)32-14-6-9-22(29)18-32)15-23(24)31-27(33)25-16-30-26(20-7-4-3-5-8-20)34(25)17-19-10-11-19;1-32-23-11-8-19(27(35)33-12-2-3-21(29)16-33)13-22(23)31-26(32)24-14-30-25(34(24)15-17-4-5-17)18-6-9-20(28)10-7-18/h3-8,10-11,13-14,17-18,20-21,26,28H,9,12,15-16,19,22-24,38H2,1-2H3;2-4,6-7,12-13,16-17,21,23H,5,8-11,14-15,18-19,30H2,1H3;3-5,7-8,13-15,18,21H,6,9-12,16-17,29H2,1-2H3;2-4,6-7,11-12,15-16,20,22H,5,8-10,13-14,17-18,29H2,1H3;3-5,7-8,12-13,15-16,19,22H,2,6,9-11,14,17-18,29H2,1H3;6-11,13-14,17,21H,2-5,12,15-16,29H2,1H3/t28-;23-;21-;2*22-;21-/m111111/s1
InChIKeyRPYPIOHKHXWHJG-MDLRNUBJSA-N
XLogP27.44
TPSA517.70 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds39
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003010.23
LogP ≤ 527.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
The IUPAC name of 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone (CID 163939723) is 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone.
What is the SMILES notation for 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
The canonical SMILES for 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone is CCn1c(-c2cnc(-c3ccccc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3ccc(C(=O)N(Cc4ccccc4)c4ccccc4)n3CC3CC3)n(C)c12.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12.Cn1c(-c2cnc(-c3ccc(Cl)cc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-c2cnc(CCc3ccccc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-c2cnc(Cc3ccccc3)n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.
What is the InChIKey of 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
The InChIKey is RPYPIOHKHXWHJG-MDLRNUBJSA-N. The full InChI is InChI=1S/C37H40N6O3.C29H34N6O.C28H32N6O2.2C28H32N6O.C27H29ClN6O/c1-40-34-30(20-27(21-33(34)46-2)36(44)41-19-9-12-28(38)24-41)39-35(40)31-17-18-32(43(31)23-26-15-16-26)37(45)42(29-13-7-4-8-14-29)22-25-10-5-3-6-11-25;1-33-25-13-12-22(29(36)34-15-5-8-23(30)19-34)16-24(25)32-28(33)26-17-31-27(35(26)18-21-9-10-21)14-11-20-6-3-2-4-7-20;1-32-25-22(13-20(14-24(25)36-2)28(35)33-12-6-9-21(29)17-33)31-27(32)23-15-30-26(19-7-4-3-5-8-19)34(23)16-18-10-11-18;1-32-24-12-11-21(28(35)33-13-5-8-22(29)18-33)15-23(24)31-27(32)25-16-30-26(34(25)17-20-9-10-20)14-19-6-3-2-4-7-19;1-2-33-24-13-12-21(28(35)32-14-6-9-22(29)18-32)15-23(24)31-27(33)25-16-30-26(20-7-4-3-5-8-20)34(25)17-19-10-11-19;1-32-23-11-8-19(27(35)33-12-2-3-21(29)16-33)13-22(23)31-26(32)24-14-30-25(34(24)15-17-4-5-17)18-6-9-20(28)10-7-18/h3-8,10-11,13-14,17-18,20-21,26,28H,9,12,15-16,19,22-24,38H2,1-2H3;2-4,6-7,12-13,16-17,21,23H,5,8-11,14-15,18-19,30H2,1H3;3-5,7-8,13-15,18,21H,6,9-12,16-17,29H2,1-2H3;2-4,6-7,11-12,15-16,20,22H,5,8-10,13-14,17-18,29H2,1H3;3-5,7-8,12-13,15-16,19,22H,2,6,9-11,14,17-18,29H2,1H3;6-11,13-14,17,21H,2-5,12,15-16,29H2,1H3/t28-;23-;21-;2*22-;21-/m111111/s1.
What are the key properties of 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone has a molecular weight of 3010.23 g/mol, XLogP of 27.44, 39 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-N-benzyl-1-(cyclopropylmethyl)-N-phenylpyrrole-2-carboxamide;[(3R)-3-aminopiperidin-1-yl]-[2-[2-benzyl-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[2-(4-chlorophenyl)-3-(cyclopropylmethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-(2-phenylethyl)imidazol-4-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-1-ethylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[3-(cyclopropylmethyl)-2-phenylimidazol-4-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone is sourced from PubChem (CID 163939723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).