5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one

C15H14N4O — CID 155113901

IUPAC5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one
SMILESC=C(Nc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N4O/c1-10(16-11-5-3-2-4-6-11)17-12-7-8-13-14(9-12)19-15(20)18-13/h2-9,16-17H,1H2,(H2,18,19,20)
InChIKeyVKLXETGBBNLRIS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds4

About 5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one

5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 155113901) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID155113901
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one
SMILESC=C(Nc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N4O/c1-10(16-11-5-3-2-4-6-11)17-12-7-8-13-14(9-12)19-15(20)18-13/h2-9,16-17H,1H2,(H2,18,19,20)
InChIKeyVKLXETGBBNLRIS-UHFFFAOYSA-N
XLogP2.85
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one (CID 155113901) is 5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one is C=C(Nc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VKLXETGBBNLRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10(16-11-5-3-2-4-6-11)17-12-7-8-13-14(9-12)19-15(20)18-13/h2-9,16-17H,1H2,(H2,18,19,20).
What are the key properties of 5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one?
5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 155113901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).