N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide

C15H14N4O — CID 66692352

IUPACN,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2nc(-c3cccnc3)n(C)c12
InChIInChI=1S/C15H14N4O/c1-16-15(20)11-6-3-7-12-13(11)19(2)14(18-12)10-5-4-8-17-9-10/h3-9H,1-2H3,(H,16,20)
InChIKeyBCVYVWNKMCNSLB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.99
Rot. Bonds2

About N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide

N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide (PubChem CID 66692352) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide
PubChem CID66692352
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2nc(-c3cccnc3)n(C)c12
InChIInChI=1S/C15H14N4O/c1-16-15(20)11-6-3-7-12-13(11)19(2)14(18-12)10-5-4-8-17-9-10/h3-9H,1-2H3,(H,16,20)
InChIKeyBCVYVWNKMCNSLB-UHFFFAOYSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide (CID 66692352) is N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide is CNC(=O)c1cccc2nc(-c3cccnc3)n(C)c12.
What is the InChIKey of N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide?
The InChIKey is BCVYVWNKMCNSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-16-15(20)11-6-3-7-12-13(11)19(2)14(18-12)10-5-4-8-17-9-10/h3-9H,1-2H3,(H,16,20).
What are the key properties of N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide?
N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 66692352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).