4-chloro-1H-benzimidazole-2-carboxamide

C8H6ClN3O — CID 175457980

IUPAC4-chloro-1H-benzimidazole-2-carboxamide
SMILESNC(=O)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C8H6ClN3O/c9-4-2-1-3-5-6(4)12-8(11-5)7(10)13/h1-3H,(H2,10,13)(H,11,12)
InChIKeyHUQNTRVFTSLXCY-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.32
Rot. Bonds1

About 4-chloro-1H-benzimidazole-2-carboxamide

4-chloro-1H-benzimidazole-2-carboxamide (PubChem CID 175457980) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 4-chloro-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1H-benzimidazole-2-carboxamide
PubChem CID175457980
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name4-chloro-1H-benzimidazole-2-carboxamide
SMILESNC(=O)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C8H6ClN3O/c9-4-2-1-3-5-6(4)12-8(11-5)7(10)13/h1-3H,(H2,10,13)(H,11,12)
InChIKeyHUQNTRVFTSLXCY-UHFFFAOYSA-N
XLogP1.32
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-carbamoyl-1H-benzimidazol-4-yl)boronic acid
CID 140900900
(4-amino-1H-benzimidazol-2-yl)-(2,6-dichlorophenyl)methanone
CID 67627185
4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 68972333
3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide
CID 120501807
3H-imidazo[4,5-f]quinoline-2-carboxamide
CID 142678216
4-N-(2-methylsulfanylethyl)-1H-benzimidazole-2,4-dicarboxamide
CID 68973275
9-azatricyclo[6.2.2.02,7]dodeca-2,6-dien-9-yl-(4-chloro-1H-benzimidazol-2-yl)methanone
CID 177021958
4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide
CID 68971589
3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
CID 83868022
(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride
CID 119808417
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928259
(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-benzimidazole-2-carboxamide?
The IUPAC name of 4-chloro-1H-benzimidazole-2-carboxamide (CID 175457980) is 4-chloro-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 4-chloro-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 4-chloro-1H-benzimidazole-2-carboxamide is NC(=O)c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-1H-benzimidazole-2-carboxamide?
The InChIKey is HUQNTRVFTSLXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-4-2-1-3-5-6(4)12-8(11-5)7(10)13/h1-3H,(H2,10,13)(H,11,12).
What are the key properties of 4-chloro-1H-benzimidazole-2-carboxamide?
4-chloro-1H-benzimidazole-2-carboxamide has a molecular weight of 195.61 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 175457980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).