1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine

C16H16BrN3O — CID 107575930

IUPAC1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2-c1cc(C)cc(Br)c1
InChIInChI=1S/C16H16BrN3O/c1-3-21-14-6-4-5-13-15(14)19-16(18)20(13)12-8-10(2)7-11(17)9-12/h4-9H,3H2,1-2H3,(H2,18,19)
InChIKeyCETSYQHQCGSGLI-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.08
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine

1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine (PubChem CID 107575930) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
PubChem CID107575930
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2-c1cc(C)cc(Br)c1
InChIInChI=1S/C16H16BrN3O/c1-3-21-14-6-4-5-13-15(14)19-16(18)20(13)12-8-10(2)7-11(17)9-12/h4-9H,3H2,1-2H3,(H2,18,19)
InChIKeyCETSYQHQCGSGLI-UHFFFAOYSA-N
XLogP4.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107575936
1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine
CID 103480612
1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine
CID 107637356
4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 113463958
1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107575938
6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 107575931
4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
CID 106035762
1-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576711
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine
CID 102854268
1-(3-bromo-2-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637238
4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine
CID 106019994

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine (CID 107575930) is 1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine is CCOc1cccc2c1nc(N)n2-c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine?
The InChIKey is CETSYQHQCGSGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-3-21-14-6-4-5-13-15(14)19-16(18)20(13)12-8-10(2)7-11(17)9-12/h4-9H,3H2,1-2H3,(H2,18,19).
What are the key properties of 1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine?
1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine has a molecular weight of 346.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine is sourced from PubChem (CID 107575930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).