N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide

C15H13N3O2 — CID 110692356

IUPACN-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-18(11-5-3-2-4-6-11)14(19)10-7-8-12-13(9-10)17-15(20)16-12/h2-9H,1H3,(H2,16,17,20)
InChIKeyUXPAUFVRBCVVIR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.13
Rot. Bonds2

About N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide

N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 110692356) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID110692356
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-18(11-5-3-2-4-6-11)14(19)10-7-8-12-13(9-10)17-15(20)16-12/h2-9H,1H3,(H2,16,17,20)
InChIKeyUXPAUFVRBCVVIR-UHFFFAOYSA-N
XLogP2.13
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
N-(4-tert-butylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 51123968
7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide
CID 75511213
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115168271
ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate
CID 31853659
3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide
CID 110700546
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115178687

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide (CID 110692356) is N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide is CN(C(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1.
What is the InChIKey of N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is UXPAUFVRBCVVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18(11-5-3-2-4-6-11)14(19)10-7-8-12-13(9-10)17-15(20)16-12/h2-9H,1H3,(H2,16,17,20).
What are the key properties of N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide?
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 110692356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).