4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide

C16H14ClN3O — CID 949216

IUPAC4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C
InChIInChI=1S/C16H14ClN3O/c1-10-18-14-9-13(7-8-15(14)20(10)2)19-16(21)11-3-5-12(17)6-4-11/h3-9H,1-2H3,(H,19,21)
InChIKeyGNKUAHZWKXWCJQ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.79
Rot. Bonds2

About 4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide

4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide (PubChem CID 949216) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide
PubChem CID949216
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C
InChIInChI=1S/C16H14ClN3O/c1-10-18-14-9-13(7-8-15(14)20(10)2)19-16(21)11-3-5-12(17)6-4-11/h3-9H,1-2H3,(H,19,21)
InChIKeyGNKUAHZWKXWCJQ-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide (CID 949216) is 4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C.
What is the InChIKey of 4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide?
The InChIKey is GNKUAHZWKXWCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-18-14-9-13(7-8-15(14)20(10)2)19-16(21)11-3-5-12(17)6-4-11/h3-9H,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide?
4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide has a molecular weight of 299.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,2-dimethylbenzimidazol-5-yl)benzamide is sourced from PubChem (CID 949216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).