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

C15H14Br2N4O — CID 2849640

IUPAC2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(N)c2ccccc2n1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN4O.BrH/c16-11-7-5-10(6-8-11)14(21)9-19-12-3-1-2-4-13(12)20(18)15(19)17;/h1-8,17H,9,18H2;1H/b17-15-;
InChIKeyDXEAGVQUKLYWKC-NYDCQJDFSA-N
MW426.11 g/mol
LogP2.86
Rot. Bonds3

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

2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide (PubChem CID 2849640) has the molecular formula C15H14Br2N4O and a molecular weight of 426.11 g/mol. Its IUPAC name is 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide
PubChem CID2849640
Molecular FormulaC15H14Br2N4O
Molecular Weight426.11 g/mol
Exact Mass423.95
IUPAC Name2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(N)c2ccccc2n1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN4O.BrH/c16-11-7-5-10(6-8-11)14(21)9-19-12-3-1-2-4-13(12)20(18)15(19)17;/h1-8,17H,9,18H2;1H/b17-15-;
InChIKeyDXEAGVQUKLYWKC-NYDCQJDFSA-N
XLogP2.86
TPSA76.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 52.86
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-bromophenyl)ethanone;hydrobromide?
The IUPAC name of 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide (CID 2849640) is 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide is Br.[H]/N=c1\n(N)c2ccccc2n1CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide?
The InChIKey is DXEAGVQUKLYWKC-NYDCQJDFSA-N. The full InChI is InChI=1S/C15H13BrN4O.BrH/c16-11-7-5-10(6-8-11)14(21)9-19-12-3-1-2-4-13(12)20(18)15(19)17;/h1-8,17H,9,18H2;1H/b17-15-;.
What are the key properties of 2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide?
2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-bromophenyl)ethanone;hydrobromide has a molecular weight of 426.11 g/mol, XLogP of 2.86, 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-bromophenyl)ethanone;hydrobromide is sourced from PubChem (CID 2849640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).