4-chloro-1H-benzimidazole-5-carboxamide

C8H6ClN3O — CID 130877031

IUPAC4-chloro-1H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cnc2c1Cl
InChIInChI=1S/C8H6ClN3O/c9-6-4(8(10)13)1-2-5-7(6)12-3-11-5/h1-3H,(H2,10,13)(H,11,12)
InChIKeyWAHODEQOEGWJKD-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.32
Rot. Bonds1

About 4-chloro-1H-benzimidazole-5-carboxamide

4-chloro-1H-benzimidazole-5-carboxamide (PubChem CID 130877031) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 4-chloro-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1H-benzimidazole-5-carboxamide
PubChem CID130877031
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name4-chloro-1H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cnc2c1Cl
InChIInChI=1S/C8H6ClN3O/c9-6-4(8(10)13)1-2-5-7(6)12-3-11-5/h1-3H,(H2,10,13)(H,11,12)
InChIKeyWAHODEQOEGWJKD-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

4-formyl-1H-benzimidazole-5-carboxamide
CID 130926253
4-chloro-5-iodo-1H-benzimidazole
CID 130951078
6-amino-1H-benzimidazole-4-carboxamide
CID 121232289
methyl 4-amino-1H-benzimidazole-5-carboxylate
CID 131010029
4-(difluoromethyl)-1H-benzimidazole-5-carboxylic acid
CID 131609729
1H-benzimidazole-4-carboxylic acid
CID 2771758
2-(1H-imidazo[4,5-c]pyridin-4-yl)acetamide
CID 140604998
7-chloro-1H-indole-6-carboxamide
CID 162383252
3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CID 166070006
2-(4-bromo-1H-benzimidazol-5-yl)acetic acid
CID 130848920
lithium 1H-benzimidazole-4-carboxylate
CID 141288016
6-hydroxy-3H-benzimidazole-5-carboxamide
CID 130781668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-benzimidazole-5-carboxamide?
The IUPAC name of 4-chloro-1H-benzimidazole-5-carboxamide (CID 130877031) is 4-chloro-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 4-chloro-1H-benzimidazole-5-carboxamide is NC(=O)c1ccc2[nH]cnc2c1Cl.
What is the InChIKey of 4-chloro-1H-benzimidazole-5-carboxamide?
The InChIKey is WAHODEQOEGWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-6-4(8(10)13)1-2-5-7(6)12-3-11-5/h1-3H,(H2,10,13)(H,11,12).
What are the key properties of 4-chloro-1H-benzimidazole-5-carboxamide?
4-chloro-1H-benzimidazole-5-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-5-carboxamide is sourced from PubChem (CID 130877031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).