N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide

C17H14N4O2 — CID 110765482

IUPACN-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
SMILESCn1c(=O)n(C)c2cc(C(=O)Nc3ccccc3C#N)ccc21
InChIInChI=1S/C17H14N4O2/c1-20-14-8-7-11(9-15(14)21(2)17(20)23)16(22)19-13-6-4-3-5-12(13)10-18/h3-9H,1-2H3,(H,19,22)
InChIKeyHQJBCOKVPYUTRO-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.00
Rot. Bonds2

About N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide

N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide (PubChem CID 110765482) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
PubChem CID110765482
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
SMILESCn1c(=O)n(C)c2cc(C(=O)Nc3ccccc3C#N)ccc21
InChIInChI=1S/C17H14N4O2/c1-20-14-8-7-11(9-15(14)21(2)17(20)23)16(22)19-13-6-4-3-5-12(13)10-18/h3-9H,1-2H3,(H,19,22)
InChIKeyHQJBCOKVPYUTRO-UHFFFAOYSA-N
XLogP2.00
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide (CID 110765482) is N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide is Cn1c(=O)n(C)c2cc(C(=O)Nc3ccccc3C#N)ccc21.
What is the InChIKey of N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The InChIKey is HQJBCOKVPYUTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-20-14-8-7-11(9-15(14)21(2)17(20)23)16(22)19-13-6-4-3-5-12(13)10-18/h3-9H,1-2H3,(H,19,22).
What are the key properties of N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 110765482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).