N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide

C20H20N4O2 — CID 71881118

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2n1C
InChIInChI=1S/C20H20N4O2/c1-12-21-17-11-14(6-9-18(17)24(12)2)20(26)23-16-5-3-4-13(10-16)19(25)22-15-7-8-15/h3-6,9-11,15H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyLKMIOCXUWYRPQT-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.03
Rot. Bonds4

About N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide (PubChem CID 71881118) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide
PubChem CID71881118
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2n1C
InChIInChI=1S/C20H20N4O2/c1-12-21-17-11-14(6-9-18(17)24(12)2)20(26)23-16-5-3-4-13(10-16)19(25)22-15-7-8-15/h3-6,9-11,15H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyLKMIOCXUWYRPQT-UHFFFAOYSA-N
XLogP3.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765870
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
CID 110765853
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-acetamido-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)benzamide
CID 110793284
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide (CID 71881118) is N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2n1C.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The InChIKey is LKMIOCXUWYRPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12-21-17-11-14(6-9-18(17)24(12)2)20(26)23-16-5-3-4-13(10-16)19(25)22-15-7-8-15/h3-6,9-11,15H,7-8H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 71881118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).