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

C16H16N4O — CID 155113900

IUPAC5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
SMILESC=C(NCc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16N4O/c1-11(17-10-12-5-3-2-4-6-12)18-13-7-8-14-15(9-13)20-16(21)19-14/h2-9,17-18H,1,10H2,(H2,19,20,21)
InChIKeyPXMJALCTLFFSMT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.53
Rot. Bonds5

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

5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 155113900) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID155113900
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
SMILESC=C(NCc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16N4O/c1-11(17-10-12-5-3-2-4-6-12)18-13-7-8-14-15(9-13)20-16(21)19-14/h2-9,17-18H,1,10H2,(H2,19,20,21)
InChIKeyPXMJALCTLFFSMT-UHFFFAOYSA-N
XLogP2.53
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one
CID 155113901
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113943
1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide
CID 134028017
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine
CID 142556397
phenyl N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 10236287
benzyl-methyl-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium
CID 9274719
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylsulfanylacetamide
CID 6459618
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylmethoxybenzamide
CID 17102550
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one (CID 155113900) is 5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one is C=C(NCc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PXMJALCTLFFSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(17-10-12-5-3-2-4-6-12)18-13-7-8-14-15(9-13)20-16(21)19-14/h2-9,17-18H,1,10H2,(H2,19,20,21).
What are the key properties of 5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 155113900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).