2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide

C18H20BrN3O2 — CID 90485166

IUPAC2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1cccc(OC)c1
InChIInChI=1S/C18H19N3O2.BrH/c1-3-20-15-9-4-5-10-16(15)21(18(20)19)12-17(22)13-7-6-8-14(11-13)23-2;/h4-11,19H,3,12H2,1-2H3;1H/b19-18+;
InChIKeyIYJLOPOFVTXWBJ-LTRPLHCISA-N
MW390.28 g/mol
LogP3.41
Rot. Bonds5

About 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide

2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide (PubChem CID 90485166) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide
PubChem CID90485166
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1cccc(OC)c1
InChIInChI=1S/C18H19N3O2.BrH/c1-3-20-15-9-4-5-10-16(15)21(18(20)19)12-17(22)13-7-6-8-14(11-13)23-2;/h4-11,19H,3,12H2,1-2H3;1H/b19-18+;
InChIKeyIYJLOPOFVTXWBJ-LTRPLHCISA-N
XLogP3.41
TPSA60.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

hydron;methyl 2-(3-ethyl-2-iminobenzimidazol-1-yl)acetate;bromide
CID 658288
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide
CID 52997824
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 648019
1-(3,4-dichlorophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide
CID 2881419
1-(3,4-dimethoxyphenyl)-2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 44889168
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone
CID 86579058
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
1-(3-butyl-5-tert-butyl-4-hydroxyphenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone
CID 143648699
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
methyl 2-[2-(2-imino-3-propylbenzimidazol-1-yl)acetyl]benzoate;hydrobromide
CID 44889409

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide (CID 90485166) is 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide is Br.[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1cccc(OC)c1.
What is the InChIKey of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide?
The InChIKey is IYJLOPOFVTXWBJ-LTRPLHCISA-N. The full InChI is InChI=1S/C18H19N3O2.BrH/c1-3-20-15-9-4-5-10-16(15)21(18(20)19)12-17(22)13-7-6-8-14(11-13)23-2;/h4-11,19H,3,12H2,1-2H3;1H/b19-18+;.
What are the key properties of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide?
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide has a molecular weight of 390.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone;hydrobromide is sourced from PubChem (CID 90485166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).