1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine

C17H18BrN3 — CID 107579219

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H18BrN3/c1-4-16-20-14-9-12(19)5-6-15(14)21(16)13-7-10(2)17(18)11(3)8-13/h5-9H,4,19H2,1-3H3
InChIKeyCIIWXLJZZKKIDN-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.55
Rot. Bonds2

About 1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine

1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine (PubChem CID 107579219) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
PubChem CID107579219
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H18BrN3/c1-4-16-20-14-9-12(19)5-6-15(14)21(16)13-7-10(2)17(18)11(3)8-13/h5-9H,4,19H2,1-3H3
InChIKeyCIIWXLJZZKKIDN-UHFFFAOYSA-N
XLogP4.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
CID 115379112
2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine
CID 63498452
1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
CID 82803563
1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
CID 83072700
[5-amino-1-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-yl]methanol
CID 65499669
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63495966
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
CID 63496681
2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine
CID 62506691
[5-amino-1-(4-bromo-2-ethylphenyl)benzimidazol-2-yl]methanol
CID 81289490

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine (CID 107579219) is 1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine is CCc1nc2cc(N)ccc2n1-c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine?
The InChIKey is CIIWXLJZZKKIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-4-16-20-14-9-12(19)5-6-15(14)21(16)13-7-10(2)17(18)11(3)8-13/h5-9H,4,19H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine?
1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine has a molecular weight of 344.26 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine is sourced from PubChem (CID 107579219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).