1-methylbenzimidazole-2-carboxamide

C9H9N3O — CID 600256

IUPAC1-methylbenzimidazole-2-carboxamide
SMILESCn1c(C(N)=O)nc2ccccc21
InChIInChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)11-9(12)8(10)13/h2-5H,1H3,(H2,10,13)
InChIKeyFPVBBVKUKKJRSV-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.67
Rot. Bonds1

About 1-methylbenzimidazole-2-carboxamide

1-methylbenzimidazole-2-carboxamide (PubChem CID 600256) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-methylbenzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-methylbenzimidazole-2-carboxamide
PubChem CID600256
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-methylbenzimidazole-2-carboxamide
SMILESCn1c(C(N)=O)nc2ccccc21
InChIInChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)11-9(12)8(10)13/h2-5H,1H3,(H2,10,13)
InChIKeyFPVBBVKUKKJRSV-UHFFFAOYSA-N
XLogP0.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole-2-carboxamide?
The IUPAC name of 1-methylbenzimidazole-2-carboxamide (CID 600256) is 1-methylbenzimidazole-2-carboxamide.
What is the SMILES notation for 1-methylbenzimidazole-2-carboxamide?
The canonical SMILES for 1-methylbenzimidazole-2-carboxamide is Cn1c(C(N)=O)nc2ccccc21.
What is the InChIKey of 1-methylbenzimidazole-2-carboxamide?
The InChIKey is FPVBBVKUKKJRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)11-9(12)8(10)13/h2-5H,1H3,(H2,10,13).
What are the key properties of 1-methylbenzimidazole-2-carboxamide?
1-methylbenzimidazole-2-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzimidazole-2-carboxamide is sourced from PubChem (CID 600256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).