2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride

C8H8ClN3O2 — CID 68841950

IUPAC2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
SMILESCl.NC(=O)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C8H7N3O2.ClH/c9-7(12)11-6-4-2-1-3-5(6)10-8(11)13;/h1-4H,(H2,9,12)(H,10,13);1H
InChIKeyFRLQXZHACBZZCY-UHFFFAOYSA-N
MW213.62 g/mol
LogP0.68
Rot. Bonds

About 2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride

2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride (PubChem CID 68841950) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
PubChem CID68841950
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
SMILESCl.NC(=O)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C8H7N3O2.ClH/c9-7(12)11-6-4-2-1-3-5(6)10-8(11)13;/h1-4H,(H2,9,12)(H,10,13);1H
InChIKeyFRLQXZHACBZZCY-UHFFFAOYSA-N
XLogP0.68
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 10584064
2-piperidin-1-ylethyl 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride
CID 70085815
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
(2-sulfanylidene-3H-benzimidazol-1-yl)urea
CID 123996940
2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid
CID 21444852
[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-oxo-3H-benzimidazole-1-carboxylate
CID 14762847
4-amino-1H-quinoxaline-2,3-dione;hydrochloride
CID 139677932
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid
CID 23467554
(6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride
CID 68933128
tert-butyl [[1-oxo-1-(2-oxo-3H-benzimidazol-1-yl)propan-2-yl]amino]sulfanylformate
CID 19380096

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride (CID 68841950) is 2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride is Cl.NC(=O)n1c(=O)[nH]c2ccccc21.
What is the InChIKey of 2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride?
The InChIKey is FRLQXZHACBZZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.ClH/c9-7(12)11-6-4-2-1-3-5(6)10-8(11)13;/h1-4H,(H2,9,12)(H,10,13);1H.
What are the key properties of 2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride?
2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride has a molecular weight of 213.62 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride is sourced from PubChem (CID 68841950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).