1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide

C16H15Br2N3O — CID 2851497

IUPAC1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O.BrH/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11;/h2-9,18H,10H2,1H3;1H/b18-16+;
InChIKeyPEWZUNFVVGLBBX-HYNBPGMHSA-N
MW425.12 g/mol
LogP3.68
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide

1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide (PubChem CID 2851497) has the molecular formula C16H15Br2N3O and a molecular weight of 425.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide
PubChem CID2851497
Molecular FormulaC16H15Br2N3O
Molecular Weight425.12 g/mol
Exact Mass422.96
IUPAC Name1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O.BrH/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11;/h2-9,18H,10H2,1H3;1H/b18-16+;
InChIKeyPEWZUNFVVGLBBX-HYNBPGMHSA-N
XLogP3.68
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.12
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide?
The IUPAC name of 1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide (CID 2851497) is 1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide is Br.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide?
The InChIKey is PEWZUNFVVGLBBX-HYNBPGMHSA-N. The full InChI is InChI=1S/C16H14BrN3O.BrH/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11;/h2-9,18H,10H2,1H3;1H/b18-16+;.
What are the key properties of 1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide?
1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide has a molecular weight of 425.12 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide is sourced from PubChem (CID 2851497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).