3H-benzimidazole-5-carboxamide

C8H7N3O — CID 15421642

IUPAC3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C8H7N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
InChIKeyFNLQDVXHDNFXIY-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.66
Rot. Bonds1

About 3H-benzimidazole-5-carboxamide

3H-benzimidazole-5-carboxamide (PubChem CID 15421642) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3H-benzimidazole-5-carboxamide
PubChem CID15421642
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C8H7N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
InChIKeyFNLQDVXHDNFXIY-UHFFFAOYSA-N
XLogP0.66
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazole-5-carboxamide?
The IUPAC name of 3H-benzimidazole-5-carboxamide (CID 15421642) is 3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3H-benzimidazole-5-carboxamide?
The canonical SMILES for 3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 3H-benzimidazole-5-carboxamide?
The InChIKey is FNLQDVXHDNFXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11).
What are the key properties of 3H-benzimidazole-5-carboxamide?
3H-benzimidazole-5-carboxamide has a molecular weight of 161.16 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 15421642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).