5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one

C17H18N4O — CID 155113943

IUPAC5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
SMILESC=C(Nc1ccc(C)c(C)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H18N4O/c1-10-4-5-13(8-11(10)2)18-12(3)19-14-6-7-15-16(9-14)21-17(22)20-15/h4-9,18-19H,3H2,1-2H3,(H2,20,21,22)
InChIKeyVZNPOMRBLOLKPN-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.47
Rot. Bonds4

About 5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one

5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 155113943) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID155113943
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
SMILESC=C(Nc1ccc(C)c(C)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H18N4O/c1-10-4-5-13(8-11(10)2)18-12(3)19-14-6-7-15-16(9-14)21-17(22)20-15/h4-9,18-19H,3H2,1-2H3,(H2,20,21,22)
InChIKeyVZNPOMRBLOLKPN-UHFFFAOYSA-N
XLogP3.47
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3,4-dimethoxy-5-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155114034
5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one
CID 155113901
5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113883
1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807518
5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113900
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
4-(2,5-dimethylphenyl)-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 26683100
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
CID 115142201
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
CID 936375

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one (CID 155113943) is 5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one is C=C(Nc1ccc(C)c(C)c1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VZNPOMRBLOLKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-10-4-5-13(8-11(10)2)18-12(3)19-14-6-7-15-16(9-14)21-17(22)20-15/h4-9,18-19H,3H2,1-2H3,(H2,20,21,22).
What are the key properties of 5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 294.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 155113943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).