N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide

C121H89Cl8N17O10 — CID 157284132

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1.O=C(Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)C1CCCCC1.O=C(Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccnc1Cl.O=C(Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccnc(Cl)c1.O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCO2.O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccco1
InChIInChI=1S/C21H14ClN3O3.C21H16ClN3O2.C21H21ClN2O.2C20H13Cl2N3O.C18H12ClN3O2/c22-15-7-6-13(10-14(15)20-24-16-3-1-2-4-17(16)25-20)23-21(26)12-5-8-18-19(9-12)28-11-27-18;1-27-15-9-6-13(7-10-15)21(26)23-14-8-11-17(22)16(12-14)20-24-18-4-2-3-5-19(18)25-20;22-17-11-10-14(13-20(25)15-6-2-1-3-7-15)12-16(17)21-23-18-8-4-5-9-19(18)24-21;21-15-8-7-12(11-18(26)13-4-3-9-23-19(13)22)10-14(15)20-24-16-5-1-2-6-17(16)25-20;21-15-6-5-12(10-18(26)13-7-8-23-19(22)11-13)9-14(15)20-24-16-3-1-2-4-17(16)25-20;19-13-8-7-11(20-18(23)16-6-3-9-24-16)10-12(13)17-21-14-4-1-2-5-15(14)22-17/h1-10H,11H2,(H,23,26)(H,24,25);2-12H,1H3,(H,23,26)(H,24,25);4-5,8-12,15H,1-3,6-7,13H2,(H,23,24);1-10H,11H2,(H,24,25);1-9,11H,10H2,(H,24,25);1-10H,(H,20,23)(H,21,22)
InChIKeyBAAHKJCJQYTACE-UHFFFAOYSA-N
MW2224.78 g/mol
LogP31.03
Rot. Bonds22

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide (PubChem CID 157284132) has the molecular formula C121H89Cl8N17O10 and a molecular weight of 2224.78 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
PubChem CID157284132
Molecular FormulaC121H89Cl8N17O10
Molecular Weight2224.78 g/mol
Exact Mass2219.45
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1.O=C(Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)C1CCCCC1.O=C(Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccnc1Cl.O=C(Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccnc(Cl)c1.O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCO2.O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccco1
InChIInChI=1S/C21H14ClN3O3.C21H16ClN3O2.C21H21ClN2O.2C20H13Cl2N3O.C18H12ClN3O2/c22-15-7-6-13(10-14(15)20-24-16-3-1-2-4-17(16)25-20)23-21(26)12-5-8-18-19(9-12)28-11-27-18;1-27-15-9-6-13(7-10-15)21(26)23-14-8-11-17(22)16(12-14)20-24-18-4-2-3-5-19(18)25-20;22-17-11-10-14(13-20(25)15-6-2-1-3-7-15)12-16(17)21-23-18-8-4-5-9-19(18)24-21;21-15-8-7-12(11-18(26)13-4-3-9-23-19(13)22)10-14(15)20-24-16-5-1-2-6-17(16)25-20;21-15-6-5-12(10-18(26)13-7-8-23-19(22)11-13)9-14(15)20-24-16-3-1-2-4-17(16)25-20;19-13-8-7-11(20-18(23)16-6-3-9-24-16)10-12(13)17-21-14-4-1-2-5-15(14)22-17/h1-10H,11H2,(H,23,26)(H,24,25);2-12H,1H3,(H,23,26)(H,24,25);4-5,8-12,15H,1-3,6-7,13H2,(H,23,24);1-10H,11H2,(H,24,25);1-9,11H,10H2,(H,24,25);1-10H,(H,20,23)(H,21,22)
InChIKeyBAAHKJCJQYTACE-UHFFFAOYSA-N
XLogP31.03
TPSA377.20 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002224.78
LogP ≤ 531.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide (CID 157284132) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1.O=C(Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)C1CCCCC1.O=C(Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccnc1Cl.O=C(Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccnc(Cl)c1.O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCO2.O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccco1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide?
The InChIKey is BAAHKJCJQYTACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O3.C21H16ClN3O2.C21H21ClN2O.2C20H13Cl2N3O.C18H12ClN3O2/c22-15-7-6-13(10-14(15)20-24-16-3-1-2-4-17(16)25-20)23-21(26)12-5-8-18-19(9-12)28-11-27-18;1-27-15-9-6-13(7-10-15)21(26)23-14-8-11-17(22)16(12-14)20-24-18-4-2-3-5-19(18)25-20;22-17-11-10-14(13-20(25)15-6-2-1-3-7-15)12-16(17)21-23-18-8-4-5-9-19(18)24-21;21-15-8-7-12(11-18(26)13-4-3-9-23-19(13)22)10-14(15)20-24-16-5-1-2-6-17(16)25-20;21-15-6-5-12(10-18(26)13-7-8-23-19(22)11-13)9-14(15)20-24-16-3-1-2-4-17(16)25-20;19-13-8-7-11(20-18(23)16-6-3-9-24-16)10-12(13)17-21-14-4-1-2-5-15(14)22-17/h1-10H,11H2,(H,23,26)(H,24,25);2-12H,1H3,(H,23,26)(H,24,25);4-5,8-12,15H,1-3,6-7,13H2,(H,23,24);1-10H,11H2,(H,24,25);1-9,11H,10H2,(H,24,25);1-10H,(H,20,23)(H,21,22).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide has a molecular weight of 2224.78 g/mol, XLogP of 31.03, 22 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-3-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-chloro-4-pyridinyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-cyclohexylethanone;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]furan-2-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide is sourced from PubChem (CID 157284132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).