1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide

C18H22BrN3O — CID 90670826

IUPAC1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CCOc1ccc(CC)cc1
InChIInChI=1S/C18H21N3O.BrH/c1-3-14-8-10-15(11-9-14)22-13-12-21-17-7-5-4-6-16(17)20(2)18(21)19;/h4-11,19H,3,12-13H2,1-2H3;1H/b19-18+;
InChIKeyRFVAEUVNPBNLTP-LTRPLHCISA-N
MW376.30 g/mol
LogP3.68
Rot. Bonds5

About 1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide

1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide (PubChem CID 90670826) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
PubChem CID90670826
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CCOc1ccc(CC)cc1
InChIInChI=1S/C18H21N3O.BrH/c1-3-14-8-10-15(11-9-14)22-13-12-21-17-7-5-4-6-16(17)20(2)18(21)19;/h4-11,19H,3,12-13H2,1-2H3;1H/b19-18+;
InChIKeyRFVAEUVNPBNLTP-LTRPLHCISA-N
XLogP3.68
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
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-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide (CID 90670826) is 1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(C)c2ccccc2n1CCOc1ccc(CC)cc1.
What is the InChIKey of 1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The InChIKey is RFVAEUVNPBNLTP-LTRPLHCISA-N. The full InChI is InChI=1S/C18H21N3O.BrH/c1-3-14-8-10-15(11-9-14)22-13-12-21-17-7-5-4-6-16(17)20(2)18(21)19;/h4-11,19H,3,12-13H2,1-2H3;1H/b19-18+;.
What are the key properties of 1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide?
1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide has a molecular weight of 376.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 90670826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).