2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide

C16H17BrN4O — CID 23724302

IUPAC2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(N)c2ccccc2n1CC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16N4O.BrH/c1-11-6-8-12(9-7-11)15(21)10-19-13-4-2-3-5-14(13)20(18)16(19)17;/h2-9,17H,10,18H2,1H3;1H/b17-16-;
InChIKeyJLMRCYJBKKWIEO-XYJRJTJESA-N
MW361.24 g/mol
LogP2.41
Rot. Bonds3

About 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide

2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide (PubChem CID 23724302) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide
PubChem CID23724302
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC Name2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(N)c2ccccc2n1CC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16N4O.BrH/c1-11-6-8-12(9-7-11)15(21)10-19-13-4-2-3-5-14(13)20(18)16(19)17;/h2-9,17H,10,18H2,1H3;1H/b17-16-;
InChIKeyJLMRCYJBKKWIEO-XYJRJTJESA-N
XLogP2.41
TPSA76.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide (CID 23724302) is 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide is Br.[H]/N=c1\n(N)c2ccccc2n1CC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide?
The InChIKey is JLMRCYJBKKWIEO-XYJRJTJESA-N. The full InChI is InChI=1S/C16H16N4O.BrH/c1-11-6-8-12(9-7-11)15(21)10-19-13-4-2-3-5-14(13)20(18)16(19)17;/h2-9,17H,10,18H2,1H3;1H/b17-16-;.
What are the key properties of 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide?
2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide has a molecular weight of 361.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide is sourced from PubChem (CID 23724302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).