[(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride

C153H168Cl2F3N31O8 — CID 158078359

IUPAC[(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride
SMILESCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccc3n2CCN)cc2ccccc21.CCn1c(-c2nc3cc(C(=O)N4C[C@@H]5C[C@]5(N)C4)ccc3n2C)cc2ccccc21.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12.Cl.Cl.Cn1c(-c2cc3ccccc3n2Cc2ccccc2)nc2cc(C(=O)N3CCC[C@H](N)C3)ccc21.Cn1c(-c2nc3cc(C(=O)N4CCC[C@H](N)C4)ccc3n2C)cc2ccccc21
InChIInChI=1S/C29H29N5O.C27H31N5O2.C25H26F3N5O2.C25H30N6O.C24H25N5O.C23H25N5O.2ClH/c1-32-26-14-13-22(29(35)33-15-7-11-23(30)19-33)16-24(26)31-28(32)27-17-21-10-5-6-12-25(21)34(27)18-20-8-3-2-4-9-20;1-30-25-21(12-19(14-24(25)34-2)27(33)31-11-5-7-20(28)16-31)29-26(30)23-13-18-6-3-4-8-22(18)32(23)15-17-9-10-17;1-31-22-18(10-16(12-21(22)35-2)24(34)32-9-5-7-17(29)13-32)30-23(31)20-11-15-6-3-4-8-19(15)33(20)14-25(26,27)28;1-2-30-21-8-4-3-6-17(21)15-23(30)24-28-20-14-18(9-10-22(20)31(24)13-11-26)25(32)29-12-5-7-19(27)16-29;1-3-29-19-7-5-4-6-15(19)11-21(29)22-26-18-10-16(8-9-20(18)27(22)2)23(30)28-13-17-12-24(17,25)14-28;1-26-19-8-4-3-6-15(19)13-21(26)22-25-18-12-16(9-10-20(18)27(22)2)23(29)28-11-5-7-17(24)14-28;;/h2-6,8-10,12-14,16-17,23H,7,11,15,18-19,30H2,1H3;3-4,6,8,12-14,17,20H,5,7,9-11,15-16,28H2,1-2H3;3-4,6,8,10-12,17H,5,7,9,13-14,29H2,1-2H3;3-4,6,8-10,14-15,19H,2,5,7,11-13,16,26-27H2,1H3;4-11,17H,3,12-14,25H2,1-2H3;3-4,6,8-10,12-13,17H,5,7,11,14,24H2,1-2H3;2*1H/t23-;20-;17-;19-;17-,24-;17-;;/m011100../s1
InChIKeyUYUQHXQMCIBFOJ-DBVUTSJWSA-N
MW2697.14 g/mol
LogP24.04
Rot. Bonds23

About [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride

[(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride (PubChem CID 158078359) has the molecular formula C153H168Cl2F3N31O8 and a molecular weight of 2697.14 g/mol. Its IUPAC name is [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride
PubChem CID158078359
Molecular FormulaC153H168Cl2F3N31O8
Molecular Weight2697.14 g/mol
Exact Mass2694.30
IUPAC Name[(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride
SMILESCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccc3n2CCN)cc2ccccc21.CCn1c(-c2nc3cc(C(=O)N4C[C@@H]5C[C@]5(N)C4)ccc3n2C)cc2ccccc21.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12.Cl.Cl.Cn1c(-c2cc3ccccc3n2Cc2ccccc2)nc2cc(C(=O)N3CCC[C@H](N)C3)ccc21.Cn1c(-c2nc3cc(C(=O)N4CCC[C@H](N)C4)ccc3n2C)cc2ccccc21
InChIInChI=1S/C29H29N5O.C27H31N5O2.C25H26F3N5O2.C25H30N6O.C24H25N5O.C23H25N5O.2ClH/c1-32-26-14-13-22(29(35)33-15-7-11-23(30)19-33)16-24(26)31-28(32)27-17-21-10-5-6-12-25(21)34(27)18-20-8-3-2-4-9-20;1-30-25-21(12-19(14-24(25)34-2)27(33)31-11-5-7-20(28)16-31)29-26(30)23-13-18-6-3-4-8-22(18)32(23)15-17-9-10-17;1-31-22-18(10-16(12-21(22)35-2)24(34)32-9-5-7-17(29)13-32)30-23(31)20-11-15-6-3-4-8-19(15)33(20)14-25(26,27)28;1-2-30-21-8-4-3-6-17(21)15-23(30)24-28-20-14-18(9-10-22(20)31(24)13-11-26)25(32)29-12-5-7-19(27)16-29;1-3-29-19-7-5-4-6-15(19)11-21(29)22-26-18-10-16(8-9-20(18)27(22)2)23(30)28-13-17-12-24(17,25)14-28;1-26-19-8-4-3-6-15(19)13-21(26)22-25-18-12-16(9-10-20(18)27(22)2)23(29)28-11-5-7-17(24)14-28;;/h2-6,8-10,12-14,16-17,23H,7,11,15,18-19,30H2,1H3;3-4,6,8,12-14,17,20H,5,7,9-11,15-16,28H2,1-2H3;3-4,6,8,10-12,17H,5,7,9,13-14,29H2,1-2H3;3-4,6,8-10,14-15,19H,2,5,7,11-13,16,26-27H2,1H3;4-11,17H,3,12-14,25H2,1-2H3;3-4,6,8-10,12-13,17H,5,7,11,14,24H2,1-2H3;2*1H/t23-;20-;17-;19-;17-,24-;17-;;/m011100../s1
InChIKeyUYUQHXQMCIBFOJ-DBVUTSJWSA-N
XLogP24.04
TPSA458.96 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002697.14
LogP ≤ 524.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 122702847
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122702852
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 122702937
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122702951
(5R)-14-[5-[(1S,4R,5R)-4-amino-2-azabicyclo[3.2.1]octane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-6,6-difluoro-2-methyl-3,13,19-triazatetracyclo[11.5.2.05,7.016,20]icosa-1(19),14,16(20),17-tetraen-4-one
CID 166630340
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[2-(cyclopropylmethyl)-6-fluoro-3-pyridinyl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 130366883
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1,1-difluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 134481925
US11833156, Example 9
CID 138490946
US11833156, Example 15
CID 138490977
US11833156, Example 14
CID 138503118
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[(6-fluoro-3-pyridinyl)oxy]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 156705257
US11878965, Example 238
CID 164554241

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride?
The IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride (CID 158078359) is [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride.
What is the SMILES notation for [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride?
The canonical SMILES for [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride is CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccc3n2CCN)cc2ccccc21.CCn1c(-c2nc3cc(C(=O)N4C[C@@H]5C[C@]5(N)C4)ccc3n2C)cc2ccccc21.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12.Cl.Cl.Cn1c(-c2cc3ccccc3n2Cc2ccccc2)nc2cc(C(=O)N3CCC[C@H](N)C3)ccc21.Cn1c(-c2nc3cc(C(=O)N4CCC[C@H](N)C4)ccc3n2C)cc2ccccc21.
What is the InChIKey of [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride?
The InChIKey is UYUQHXQMCIBFOJ-DBVUTSJWSA-N. The full InChI is InChI=1S/C29H29N5O.C27H31N5O2.C25H26F3N5O2.C25H30N6O.C24H25N5O.C23H25N5O.2ClH/c1-32-26-14-13-22(29(35)33-15-7-11-23(30)19-33)16-24(26)31-28(32)27-17-21-10-5-6-12-25(21)34(27)18-20-8-3-2-4-9-20;1-30-25-21(12-19(14-24(25)34-2)27(33)31-11-5-7-20(28)16-31)29-26(30)23-13-18-6-3-4-8-22(18)32(23)15-17-9-10-17;1-31-22-18(10-16(12-21(22)35-2)24(34)32-9-5-7-17(29)13-32)30-23(31)20-11-15-6-3-4-8-19(15)33(20)14-25(26,27)28;1-2-30-21-8-4-3-6-17(21)15-23(30)24-28-20-14-18(9-10-22(20)31(24)13-11-26)25(32)29-12-5-7-19(27)16-29;1-3-29-19-7-5-4-6-15(19)11-21(29)22-26-18-10-16(8-9-20(18)27(22)2)23(30)28-13-17-12-24(17,25)14-28;1-26-19-8-4-3-6-15(19)13-21(26)22-25-18-12-16(9-10-20(18)27(22)2)23(29)28-11-5-7-17(24)14-28;;/h2-6,8-10,12-14,16-17,23H,7,11,15,18-19,30H2,1H3;3-4,6,8,12-14,17,20H,5,7,9-11,15-16,28H2,1-2H3;3-4,6,8,10-12,17H,5,7,9,13-14,29H2,1-2H3;3-4,6,8-10,14-15,19H,2,5,7,11-13,16,26-27H2,1H3;4-11,17H,3,12-14,25H2,1-2H3;3-4,6,8-10,12-13,17H,5,7,11,14,24H2,1-2H3;2*1H/t23-;20-;17-;19-;17-,24-;17-;;/m011100../s1.
What are the key properties of [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride?
[(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride has a molecular weight of 2697.14 g/mol, XLogP of 24.04, 23 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[1-(2-aminoethyl)-2-(1-ethylindol-2-yl)benzimidazol-5-yl]-[(3R)-3-aminopiperidin-1-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[2-(1-benzylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3S)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;dihydrochloride is sourced from PubChem (CID 158078359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).