4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide

C15H12ClN3O — CID 948801

IUPAC4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide
SMILESCn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C15H12ClN3O/c1-19-9-17-13-8-12(6-7-14(13)19)18-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,20)
InChIKeyZGWWNEJGNSSLGF-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.48
Rot. Bonds2

About 4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide

4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide (PubChem CID 948801) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide
PubChem CID948801
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide
SMILESCn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C15H12ClN3O/c1-19-9-17-13-8-12(6-7-14(13)19)18-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,20)
InChIKeyZGWWNEJGNSSLGF-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide (CID 948801) is 4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide is Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide?
The InChIKey is ZGWWNEJGNSSLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-19-9-17-13-8-12(6-7-14(13)19)18-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,20).
What are the key properties of 4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide?
4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide has a molecular weight of 285.73 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide is sourced from PubChem (CID 948801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).