1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine

C15H13Br2N3 — CID 63495969

IUPAC1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2N3/c1-2-15-19-12-8-10(18)4-6-14(12)20(15)13-5-3-9(16)7-11(13)17/h3-8H,2,18H2,1H3
InChIKeyMZVZRLAPZVWWJF-UHFFFAOYSA-N
MW395.10 g/mol
LogP4.70
Rot. Bonds2

About 1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine

1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine (PubChem CID 63495969) has the molecular formula C15H13Br2N3 and a molecular weight of 395.10 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
PubChem CID63495969
Molecular FormulaC15H13Br2N3
Molecular Weight395.10 g/mol
Exact Mass392.95
IUPAC Name1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2N3/c1-2-15-19-12-8-10(18)4-6-14(12)20(15)13-5-3-9(16)7-11(13)17/h3-8H,2,18H2,1H3
InChIKeyMZVZRLAPZVWWJF-UHFFFAOYSA-N
XLogP4.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.10
LogP ≤ 54.70
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

[5-amino-1-(4-bromo-2-ethylphenyl)benzimidazol-2-yl]methanol
CID 81289490
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63495966
1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
CID 107579219
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
CID 63546046
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine
CID 62506691
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
CID 62507674
5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
CID 81275644
1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660921
1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
CID 82803563
1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
CID 83072700

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine (CID 63495969) is 1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine is CCc1nc2cc(N)ccc2n1-c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine?
The InChIKey is MZVZRLAPZVWWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N3/c1-2-15-19-12-8-10(18)4-6-14(12)20(15)13-5-3-9(16)7-11(13)17/h3-8H,2,18H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine?
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine has a molecular weight of 395.10 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine is sourced from PubChem (CID 63495969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).