6-chloro-1-methylbenzimidazole-5-carboxamide

C9H8ClN3O — CID 112756940

IUPAC6-chloro-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(N)=O)c(Cl)cc21
InChIInChI=1S/C9H8ClN3O/c1-13-4-12-7-2-5(9(11)14)6(10)3-8(7)13/h2-4H,1H3,(H2,11,14)
InChIKeyXJJYGRHJGUYNLM-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.33
Rot. Bonds1

About 6-chloro-1-methylbenzimidazole-5-carboxamide

6-chloro-1-methylbenzimidazole-5-carboxamide (PubChem CID 112756940) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 6-chloro-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-1-methylbenzimidazole-5-carboxamide
PubChem CID112756940
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name6-chloro-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(N)=O)c(Cl)cc21
InChIInChI=1S/C9H8ClN3O/c1-13-4-12-7-2-5(9(11)14)6(10)3-8(7)13/h2-4H,1H3,(H2,11,14)
InChIKeyXJJYGRHJGUYNLM-UHFFFAOYSA-N
XLogP1.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 6-chloro-1-methylbenzimidazole-5-carboxamide (CID 112756940) is 6-chloro-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 6-chloro-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 6-chloro-1-methylbenzimidazole-5-carboxamide is Cn1cnc2cc(C(N)=O)c(Cl)cc21.
What is the InChIKey of 6-chloro-1-methylbenzimidazole-5-carboxamide?
The InChIKey is XJJYGRHJGUYNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-13-4-12-7-2-5(9(11)14)6(10)3-8(7)13/h2-4H,1H3,(H2,11,14).
What are the key properties of 6-chloro-1-methylbenzimidazole-5-carboxamide?
6-chloro-1-methylbenzimidazole-5-carboxamide has a molecular weight of 209.64 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 112756940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).