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

C18H20BrN3O — CID 90670824

IUPAC1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccc(CC)cc1
InChIInChI=1S/C18H19N3O.BrH/c1-3-13-8-10-14(11-9-13)17(22)12-21-16-7-5-4-6-15(16)20(2)18(21)19;/h4-11,19H,3,12H2,1-2H3;1H/b19-18+;
InChIKeyKLWUAOMNICGLKD-LTRPLHCISA-N
MW374.28 g/mol
LogP3.48
Rot. Bonds4

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

1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide (PubChem CID 90670824) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide
PubChem CID90670824
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccc(CC)cc1
InChIInChI=1S/C18H19N3O.BrH/c1-3-13-8-10-14(11-9-13)17(22)12-21-16-7-5-4-6-15(16)20(2)18(21)19;/h4-11,19H,3,12H2,1-2H3;1H/b19-18+;
InChIKeyKLWUAOMNICGLKD-LTRPLHCISA-N
XLogP3.48
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide (CID 90670824) is 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide is Br.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide?
The InChIKey is KLWUAOMNICGLKD-LTRPLHCISA-N. The full InChI is InChI=1S/C18H19N3O.BrH/c1-3-13-8-10-14(11-9-13)17(22)12-21-16-7-5-4-6-15(16)20(2)18(21)19;/h4-11,19H,3,12H2,1-2H3;1H/b19-18+;.
What are the key properties of 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide?
1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide has a molecular weight of 374.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide is sourced from PubChem (CID 90670824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).