2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide

C21H16ClN3O2 — CID 11394800

IUPAC2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)c4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C21H16ClN3O2/c22-16-8-5-13(6-9-16)19(26)12-1-3-14(4-2-12)21-24-17-10-7-15(20(23)27)11-18(17)25-21/h1-11,19,26H,(H2,23,27)(H,24,25)
InChIKeyZJHFPGDWRJEXNI-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.06
Rot. Bonds4

About 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11394800) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11394800
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)c4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C21H16ClN3O2/c22-16-8-5-13(6-9-16)19(26)12-1-3-14(4-2-12)21-24-17-10-7-15(20(23)27)11-18(17)25-21/h1-11,19,26H,(H2,23,27)(H,24,25)
InChIKeyZJHFPGDWRJEXNI-UHFFFAOYSA-N
XLogP4.06
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
ethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673681
2-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]propanoic acid
CID 3046609
[(Z)-1-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]ethylideneamino]urea
CID 71594369
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
CID 174846726
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69346240
2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10115542
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide
CID 11705277
N'-hydroxy-2-[4-[6-(N'-hydroxycarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 147189272
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 11394800) is 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(C(O)c4ccc(Cl)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ZJHFPGDWRJEXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-16-8-5-13(6-9-16)19(26)12-1-3-14(4-2-12)21-24-17-10-7-15(20(23)27)11-18(17)25-21/h1-11,19,26H,(H2,23,27)(H,24,25).
What are the key properties of 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11394800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).