[1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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

C98H93Cl4F2N17O9 — CID 164961556

IUPAC[1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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
SMILESCN(C(=O)c1ccc2c(c1)ncn2-c1cccc(Cl)c1)C1CC1.COc1ccc(-n2c(CC(C)=O)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.NC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(F)(F)C1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(O)C1
InChIInChI=1S/C23H26N4O3.C21H21ClN4O2.C18H14ClF2N3O.C18H16ClN3O2.C18H16ClN3O/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;19-13-2-1-3-14(9-13)24-11-22-15-8-12(4-5-16(15)24)17(25)23-7-6-18(20,21)10-23;19-13-2-1-3-14(9-13)22-11-20-16-8-12(4-5-17(16)22)18(24)21-7-6-15(23)10-21;1-21(14-6-7-14)18(23)12-5-8-17-16(9-12)20-11-22(17)15-4-2-3-13(19)10-15/h4-7,13-15H,8-12H2,1-3H3;4-8,11-12H,1-3,9-10,13H2,(H2,23,27);1-5,8-9,11H,6-7,10H2;1-5,8-9,11,15,23H,6-7,10H2;2-5,8-11,14H,6-7H2,1H3
InChIKeyBXGKVQVPSPBRRU-UHFFFAOYSA-N
MW1832.74 g/mol
LogP17.72
Rot. Bonds16

About [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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

[1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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 (PubChem CID 164961556) has the molecular formula C98H93Cl4F2N17O9 and a molecular weight of 1832.74 g/mol. Its IUPAC name is [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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.

Molecular Properties

Compound Name[1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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
PubChem CID164961556
Molecular FormulaC98H93Cl4F2N17O9
Molecular Weight1832.74 g/mol
Exact Mass1829.61
IUPAC Name[1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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
SMILESCN(C(=O)c1ccc2c(c1)ncn2-c1cccc(Cl)c1)C1CC1.COc1ccc(-n2c(CC(C)=O)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.NC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(F)(F)C1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(O)C1
InChIInChI=1S/C23H26N4O3.C21H21ClN4O2.C18H14ClF2N3O.C18H16ClN3O2.C18H16ClN3O/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;19-13-2-1-3-14(9-13)24-11-22-15-8-12(4-5-16(15)24)17(25)23-7-6-18(20,21)10-23;19-13-2-1-3-14(9-13)22-11-20-16-8-12(4-5-17(16)22)18(24)21-7-6-15(23)10-21;1-21(14-6-7-14)18(23)12-5-8-17-16(9-12)20-11-22(17)15-4-2-3-13(19)10-15/h4-7,13-15H,8-12H2,1-3H3;4-8,11-12H,1-3,9-10,13H2,(H2,23,27);1-5,8-9,11H,6-7,10H2;1-5,8-9,11,15,23H,6-7,10H2;2-5,8-11,14H,6-7H2,1H3
InChIKeyBXGKVQVPSPBRRU-UHFFFAOYSA-N
XLogP17.72
TPSA293.16 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.74
LogP ≤ 517.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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?
The IUPAC name of [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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 (CID 164961556) is [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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.
What is the SMILES notation for [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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?
The canonical SMILES for [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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 is CN(C(=O)c1ccc2c(c1)ncn2-c1cccc(Cl)c1)C1CC1.COc1ccc(-n2c(CC(C)=O)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.NC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(F)(F)C1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(O)C1.
What is the InChIKey of [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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?
The InChIKey is BXGKVQVPSPBRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3.C21H21ClN4O2.C18H14ClF2N3O.C18H16ClN3O2.C18H16ClN3O/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;19-13-2-1-3-14(9-13)24-11-22-15-8-12(4-5-16(15)24)17(25)23-7-6-18(20,21)10-23;19-13-2-1-3-14(9-13)22-11-20-16-8-12(4-5-17(16)22)18(24)21-7-6-15(23)10-21;1-21(14-6-7-14)18(23)12-5-8-17-16(9-12)20-11-22(17)15-4-2-3-13(19)10-15/h4-7,13-15H,8-12H2,1-3H3;4-8,11-12H,1-3,9-10,13H2,(H2,23,27);1-5,8-9,11H,6-7,10H2;1-5,8-9,11,15,23H,6-7,10H2;2-5,8-11,14H,6-7H2,1H3.
What are the key properties of [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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?
[1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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 has a molecular weight of 1832.74 g/mol, XLogP of 17.72, 16 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;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 is sourced from PubChem (CID 164961556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).