3-methylbenzimidazole-5-carboxamide

C9H9N3O — CID 21105052

IUPAC3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2ccc(C(N)=O)cc21
InChIInChI=1S/C9H9N3O/c1-12-5-11-7-3-2-6(9(10)13)4-8(7)12/h2-5H,1H3,(H2,10,13)
InChIKeyUJXRWKLQGBPKDE-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.67
Rot. Bonds1

About 3-methylbenzimidazole-5-carboxamide

3-methylbenzimidazole-5-carboxamide (PubChem CID 21105052) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-methylbenzimidazole-5-carboxamide
PubChem CID21105052
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2ccc(C(N)=O)cc21
InChIInChI=1S/C9H9N3O/c1-12-5-11-7-3-2-6(9(10)13)4-8(7)12/h2-5H,1H3,(H2,10,13)
InChIKeyUJXRWKLQGBPKDE-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 3-methylbenzimidazole-5-carboxamide?
The IUPAC name of 3-methylbenzimidazole-5-carboxamide (CID 21105052) is 3-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-methylbenzimidazole-5-carboxamide is Cn1cnc2ccc(C(N)=O)cc21.
What is the InChIKey of 3-methylbenzimidazole-5-carboxamide?
The InChIKey is UJXRWKLQGBPKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-5-11-7-3-2-6(9(10)13)4-8(7)12/h2-5H,1H3,(H2,10,13).
What are the key properties of 3-methylbenzimidazole-5-carboxamide?
3-methylbenzimidazole-5-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 3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 21105052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).