2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide

C23H20ClN3O4 — CID 76739472

IUPAC2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(OCC(O)CO)c1)c1cccc2[nH]c(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C23H20ClN3O4/c24-15-5-1-4-14(10-15)22-26-20-9-3-8-19(21(20)27-22)23(30)25-16-6-2-7-18(11-16)31-13-17(29)12-28/h1-11,17,28-29H,12-13H2,(H,25,30)(H,26,27)
InChIKeyJJNAQBRGJPIKEN-UHFFFAOYSA-N
MW437.88 g/mol
LogP3.87
Rot. Bonds7

About 2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide

2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 76739472) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID76739472
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(OCC(O)CO)c1)c1cccc2[nH]c(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C23H20ClN3O4/c24-15-5-1-4-14(10-15)22-26-20-9-3-8-19(21(20)27-22)23(30)25-16-6-2-7-18(11-16)31-13-17(29)12-28/h1-11,17,28-29H,12-13H2,(H,25,30)(H,26,27)
InChIKeyJJNAQBRGJPIKEN-UHFFFAOYSA-N
XLogP3.87
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 58279096
N-[3-(2,3-dihydroxypropoxy)phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 76739470
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279101
2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 58278839
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 44600636
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[2-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279310
2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 121367006
2-[2-[4-[[2-[[2-(3-chlorophenyl)-1H-benzimidazole-4-carbonyl]amino]-1,3-thiazol-4-yl]methyl]morpholin-3-yl]-3-pyridinyl]-N-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 143922263
2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]quinoline-8-carboxamide
CID 162140277
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279059
2-[2-(difluoromethyl)-4-fluorophenyl]-N-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-3H-imidazo[4,5-c]pyridin-5-ium-7-carboxamide
CID 123252745
N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 58154617

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide (CID 76739472) is 2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1cccc(OCC(O)CO)c1)c1cccc2[nH]c(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is JJNAQBRGJPIKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c24-15-5-1-4-14(10-15)22-26-20-9-3-8-19(21(20)27-22)23(30)25-16-6-2-7-18(11-16)31-13-17(29)12-28/h1-11,17,28-29H,12-13H2,(H,25,30)(H,26,27).
What are the key properties of 2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide?
2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 437.88 g/mol, XLogP of 3.87, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 76739472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).