2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline

C15H13BrClN3 — CID 107049833

IUPAC2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline
SMILESCCn1c(-c2cccc(Cl)c2N)nc2cc(Br)ccc21
InChIInChI=1S/C15H13BrClN3/c1-2-20-13-7-6-9(16)8-12(13)19-15(20)10-4-3-5-11(17)14(10)18/h3-8H,2,18H2,1H3
InChIKeyIUGMHYIKORIODO-UHFFFAOYSA-N
MW350.65 g/mol
LogP4.72
Rot. Bonds2

About 2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline

2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline (PubChem CID 107049833) has the molecular formula C15H13BrClN3 and a molecular weight of 350.65 g/mol. Its IUPAC name is 2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline.

Molecular Properties

Compound Name2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline
PubChem CID107049833
Molecular FormulaC15H13BrClN3
Molecular Weight350.65 g/mol
Exact Mass349.00
IUPAC Name2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline
SMILESCCn1c(-c2cccc(Cl)c2N)nc2cc(Br)ccc21
InChIInChI=1S/C15H13BrClN3/c1-2-20-13-7-6-9(16)8-12(13)19-15(20)10-4-3-5-11(17)14(10)18/h3-8H,2,18H2,1H3
InChIKeyIUGMHYIKORIODO-UHFFFAOYSA-N
XLogP4.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 54.72
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

3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
2-(5-bromo-1-ethylbenzimidazol-2-yl)-4-iodoaniline
CID 63494366
3-(5-bromo-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946740
3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614505
5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine
CID 60785058
2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903750
2-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-3-amine
CID 60783962
3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711
4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79401861
3-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928249
2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline
CID 107049921

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline?
The IUPAC name of 2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline (CID 107049833) is 2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline.
What is the SMILES notation for 2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline?
The canonical SMILES for 2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline is CCn1c(-c2cccc(Cl)c2N)nc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline?
The InChIKey is IUGMHYIKORIODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3/c1-2-20-13-7-6-9(16)8-12(13)19-15(20)10-4-3-5-11(17)14(10)18/h3-8H,2,18H2,1H3.
What are the key properties of 2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline?
2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline has a molecular weight of 350.65 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline is sourced from PubChem (CID 107049833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).