[2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine

C16H15BrClN3 — CID 107994624

IUPAC[2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine
SMILESCCn1c(-c2ccc(Cl)cc2Br)nc2cc(CN)ccc21
InChIInChI=1S/C16H15BrClN3/c1-2-21-15-6-3-10(9-19)7-14(15)20-16(21)12-5-4-11(18)8-13(12)17/h3-8H,2,9,19H2,1H3
InChIKeyNCLVCISLKDFHOE-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.60
Rot. Bonds3

About [2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine

[2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine (PubChem CID 107994624) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is [2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine
PubChem CID107994624
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name[2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine
SMILESCCn1c(-c2ccc(Cl)cc2Br)nc2cc(CN)ccc21
InChIInChI=1S/C16H15BrClN3/c1-2-21-15-6-3-10(9-19)7-14(15)20-16(21)12-5-4-11(18)8-13(12)17/h3-8H,2,9,19H2,1H3
InChIKeyNCLVCISLKDFHOE-UHFFFAOYSA-N
XLogP4.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine
CID 106690304
3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
CID 115472637
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711
[1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine
CID 65038016
[2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine
CID 66127163
[1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine
CID 65038302
[5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 63628688
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040586
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
[2-(4,5-dibromothiophen-2-yl)-1-propylbenzimidazol-5-yl]methanamine
CID 80537091

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine (CID 107994624) is [2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine is CCn1c(-c2ccc(Cl)cc2Br)nc2cc(CN)ccc21.
What is the InChIKey of [2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine?
The InChIKey is NCLVCISLKDFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-2-21-15-6-3-10(9-19)7-14(15)20-16(21)12-5-4-11(18)8-13(12)17/h3-8H,2,9,19H2,1H3.
What are the key properties of [2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine?
[2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine has a molecular weight of 364.67 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 107994624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).