1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone

C119H119Cl4FN22O9 — CID 167694992

IUPAC1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone
SMILESC=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(O)CC1.CC1(F)CCN(C(=O)c2cnc3c(c2)ncn3-c2cccc(Cl)c2)C1.COc1ccc(-n2c(CC(C)=O)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.Cc1cn(-c2cncnc2)c2ccc(C(=O)N3CCC(C)CC3)cc12.NC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(NC1CC1)c1ccc2c(c1)ncn2-c1cccc(Cl)c1
InChIInChI=1S/C23H26N4O3.C21H21ClN4O2.C20H20ClN3O.C20H22N4O.C18H16ClFN4O.C17H14ClN3O/c1-15-8-10-26(11-9-15)23(29)17-13-20-22(24-14-17)27(21(25-20)12-16(2)28)18-4-6-19(30-3)7-5-18;22-15-5-4-6-16(12-15)26-18-8-7-14(21(28)25-9-2-1-3-10-25)11-17(18)24-20(26)13-19(23)27;1-14(23-9-7-18(25)8-10-23)15-5-6-20-19(11-15)22-13-24(20)17-4-2-3-16(21)12-17;1-14-5-7-23(8-6-14)20(25)16-3-4-19-18(9-16)15(2)12-24(19)17-10-21-13-22-11-17;1-18(20)5-6-23(10-18)17(25)12-7-15-16(21-9-12)24(11-22-15)14-4-2-3-13(19)8-14;18-12-2-1-3-14(9-12)21-10-19-15-8-11(4-7-16(15)21)17(22)20-13-5-6-13/h4-7,13-15H,8-12H2,1-3H3;4-8,11-12H,1-3,9-10,13H2,(H2,23,27);2-6,11-13,18,25H,1,7-10H2;3-4,9-14H,5-8H2,1-2H3;2-4,7-9,11H,5-6,10H2,1H3;1-4,7-10,13H,5-6H2,(H,20,22)
InChIKeyXNCFWCOCMHLYPF-UHFFFAOYSA-N
MW2162.22 g/mol
LogP21.69
Rot. Bonds19

About 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone

1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone (PubChem CID 167694992) has the molecular formula C119H119Cl4FN22O9 and a molecular weight of 2162.22 g/mol. Its IUPAC name is 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone.

Molecular Properties

Compound Name1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone
PubChem CID167694992
Molecular FormulaC119H119Cl4FN22O9
Molecular Weight2162.22 g/mol
Exact Mass2158.83
IUPAC Name1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone
SMILESC=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(O)CC1.CC1(F)CCN(C(=O)c2cnc3c(c2)ncn3-c2cccc(Cl)c2)C1.COc1ccc(-n2c(CC(C)=O)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.Cc1cn(-c2cncnc2)c2ccc(C(=O)N3CCC(C)CC3)cc12.NC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(NC1CC1)c1ccc2c(c1)ncn2-c1cccc(Cl)c1
InChIInChI=1S/C23H26N4O3.C21H21ClN4O2.C20H20ClN3O.C20H22N4O.C18H16ClFN4O.C17H14ClN3O/c1-15-8-10-26(11-9-15)23(29)17-13-20-22(24-14-17)27(21(25-20)12-16(2)28)18-4-6-19(30-3)7-5-18;22-15-5-4-6-16(12-15)26-18-8-7-14(21(28)25-9-2-1-3-10-25)11-17(18)24-20(26)13-19(23)27;1-14(23-9-7-18(25)8-10-23)15-5-6-20-19(11-15)22-13-24(20)17-4-2-3-16(21)12-17;1-14-5-7-23(8-6-14)20(25)16-3-4-19-18(9-16)15(2)12-24(19)17-10-21-13-22-11-17;1-18(20)5-6-23(10-18)17(25)12-7-15-16(21-9-12)24(11-22-15)14-4-2-3-13(19)8-14;18-12-2-1-3-14(9-12)21-10-19-15-8-11(4-7-16(15)21)17(22)20-13-5-6-13/h4-7,13-15H,8-12H2,1-3H3;4-8,11-12H,1-3,9-10,13H2,(H2,23,27);2-6,11-13,18,25H,1,7-10H2;3-4,9-14H,5-8H2,1-2H3;2-4,7-9,11H,5-6,10H2,1H3;1-4,7-10,13H,5-6H2,(H,20,22)
InChIKeyXNCFWCOCMHLYPF-UHFFFAOYSA-N
XLogP21.69
TPSA348.79 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002162.22
LogP ≤ 521.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?
The IUPAC name of 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone (CID 167694992) is 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone.
What is the SMILES notation for 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?
The canonical SMILES for 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone is C=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(O)CC1.CC1(F)CCN(C(=O)c2cnc3c(c2)ncn3-c2cccc(Cl)c2)C1.COc1ccc(-n2c(CC(C)=O)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.Cc1cn(-c2cncnc2)c2ccc(C(=O)N3CCC(C)CC3)cc12.NC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(NC1CC1)c1ccc2c(c1)ncn2-c1cccc(Cl)c1.
What is the InChIKey of 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?
The InChIKey is XNCFWCOCMHLYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3.C21H21ClN4O2.C20H20ClN3O.C20H22N4O.C18H16ClFN4O.C17H14ClN3O/c1-15-8-10-26(11-9-15)23(29)17-13-20-22(24-14-17)27(21(25-20)12-16(2)28)18-4-6-19(30-3)7-5-18;22-15-5-4-6-16(12-15)26-18-8-7-14(21(28)25-9-2-1-3-10-25)11-17(18)24-20(26)13-19(23)27;1-14(23-9-7-18(25)8-10-23)15-5-6-20-19(11-15)22-13-24(20)17-4-2-3-16(21)12-17;1-14-5-7-23(8-6-14)20(25)16-3-4-19-18(9-16)15(2)12-24(19)17-10-21-13-22-11-17;1-18(20)5-6-23(10-18)17(25)12-7-15-16(21-9-12)24(11-22-15)14-4-2-3-13(19)8-14;18-12-2-1-3-14(9-12)21-10-19-15-8-11(4-7-16(15)21)17(22)20-13-5-6-13/h4-7,13-15H,8-12H2,1-3H3;4-8,11-12H,1-3,9-10,13H2,(H2,23,27);2-6,11-13,18,25H,1,7-10H2;3-4,9-14H,5-8H2,1-2H3;2-4,7-9,11H,5-6,10H2,1H3;1-4,7-10,13H,5-6H2,(H,20,22).
What are the key properties of 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?
1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone has a molecular weight of 2162.22 g/mol, XLogP of 21.69, 19 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenyl]piperidin-4-ol;1-(3-chlorophenyl)-N-cyclopropylbenzimidazole-5-carboxamide;[3-(3-chlorophenyl)imidazo[4,5-b]pyridin-6-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone is sourced from PubChem (CID 167694992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).