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

C16H15BrN4O — CID 155113883

IUPAC5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
SMILESC=C(Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H15BrN4O/c1-9-7-11(17)3-5-13(9)19-10(2)18-12-4-6-14-15(8-12)21-16(22)20-14/h3-8,18-19H,2H2,1H3,(H2,20,21,22)
InChIKeyWYTFHORLBPZIHI-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.92
Rot. Bonds4

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

5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 155113883) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID155113883
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
SMILESC=C(Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H15BrN4O/c1-9-7-11(17)3-5-13(9)19-10(2)18-12-4-6-14-15(8-12)21-16(22)20-14/h3-8,18-19H,2H2,1H3,(H2,20,21,22)
InChIKeyWYTFHORLBPZIHI-UHFFFAOYSA-N
XLogP3.92
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one (CID 155113883) is 5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one is C=C(Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(Br)cc1C.
What is the InChIKey of 5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WYTFHORLBPZIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-9-7-11(17)3-5-13(9)19-10(2)18-12-4-6-14-15(8-12)21-16(22)20-14/h3-8,18-19H,2H2,1H3,(H2,20,21,22).
What are the key properties of 5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one?
5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 359.23 g/mol, XLogP of 3.92, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromo-2-methylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 155113883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).