5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one

C15H13N3O2 — CID 116917457

IUPAC5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNc1ccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H13N3O2/c1-16-11-5-2-9(3-6-11)14(19)10-4-7-12-13(8-10)18-15(20)17-12/h2-8,16H,1H3,(H2,17,18,20)
InChIKeyNVTPHYQJHOIIOT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.13
Rot. Bonds3

About 5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one

5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116917457) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116917457
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNc1ccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H13N3O2/c1-16-11-5-2-9(3-6-11)14(19)10-4-7-12-13(8-10)18-15(20)17-12/h2-8,16H,1H3,(H2,17,18,20)
InChIKeyNVTPHYQJHOIIOT-UHFFFAOYSA-N
XLogP2.13
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338650
5-(2,3-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62648992
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692356
5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107981626
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338645
5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 115549761
1-(4-acetylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2406863

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one (CID 116917457) is 5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one is CNc1ccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NVTPHYQJHOIIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-16-11-5-2-9(3-6-11)14(19)10-4-7-12-13(8-10)18-15(20)17-12/h2-8,16H,1H3,(H2,17,18,20).
What are the key properties of 5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one?
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116917457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).