5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one

C15H16N4O — CID 117041078

IUPAC5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
SMILESCNc1cccc(N(C)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C15H16N4O/c1-16-10-4-3-5-11(8-10)19(2)12-6-7-13-14(9-12)18-15(20)17-13/h3-9,16H,1-2H3,(H2,17,18,20)
InChIKeyHQVBCHWLTNNXPW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.67
Rot. Bonds3

About 5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one

5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 117041078) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
PubChem CID117041078
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
SMILESCNc1cccc(N(C)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C15H16N4O/c1-16-10-4-3-5-11(8-10)19(2)12-6-7-13-14(9-12)18-15(20)17-13/h3-9,16H,1-2H3,(H2,17,18,20)
InChIKeyHQVBCHWLTNNXPW-UHFFFAOYSA-N
XLogP2.67
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 117041083
3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028936
1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 117041090
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115260667
1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115168271
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
methyl 3-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-oxopropanoate
CID 115174253
N,2-dimethyl-2-(methylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115165676
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692356
6-(methylamino)-1H-quinazoline-2,4-dione
CID 89311421
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221

Frequently Asked Questions

What is the IUPAC name of 5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one (CID 117041078) is 5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one is CNc1cccc(N(C)c2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HQVBCHWLTNNXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-16-10-4-3-5-11(8-10)19(2)12-6-7-13-14(9-12)18-15(20)17-13/h3-9,16H,1-2H3,(H2,17,18,20).
What are the key properties of 5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one?
5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 117041078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).