N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide

C18H19N3O2 — CID 110867247

IUPACN-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide
SMILESCc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H19N3O2/c1-10(2)12-4-6-13(7-5-12)17(22)19-14-9-16-15(8-11(14)3)20-18(23)21-16/h4-10H,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyAXDRBVQAZLMMPH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.54
Rot. Bonds3

About N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide

N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide (PubChem CID 110867247) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide
PubChem CID110867247
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide
SMILESCc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H19N3O2/c1-10(2)12-4-6-13(7-5-12)17(22)19-14-9-16-15(8-11(14)3)20-18(23)21-16/h4-10H,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyAXDRBVQAZLMMPH-UHFFFAOYSA-N
XLogP3.54
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
3-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 110867241
N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692364
3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 20961981
ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide
CID 156850007
2-fluoro-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 16765362
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400197
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 35189104
4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 59980671

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide (CID 110867247) is N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide is Cc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide?
The InChIKey is AXDRBVQAZLMMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-10(2)12-4-6-13(7-5-12)17(22)19-14-9-16-15(8-11(14)3)20-18(23)21-16/h4-10H,1-3H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide?
N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide has a molecular weight of 309.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 110867247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).