2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine

C13H18ClN3 — CID 46310938

IUPAC2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
SMILESCC(C)Cn1c(CCN)nc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClN3/c1-9(2)8-17-12-7-10(14)3-4-11(12)16-13(17)5-6-15/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyULKZIQNEDIWUQQ-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.85
Rot. Bonds4

About 2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine

2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine (PubChem CID 46310938) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
PubChem CID46310938
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
SMILESCC(C)Cn1c(CCN)nc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClN3/c1-9(2)8-17-12-7-10(14)3-4-11(12)16-13(17)5-6-15/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyULKZIQNEDIWUQQ-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 115471463
3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308504
2-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308639
2-[6-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanamine
CID 46309314
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610
6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
6-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310916
6-chloro-2-(chloromethyl)-1-(2-methylsulfinylpropyl)benzimidazole
CID 113484388
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine (CID 46310938) is 2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine is CC(C)Cn1c(CCN)nc2ccc(Cl)cc21.
What is the InChIKey of 2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine?
The InChIKey is ULKZIQNEDIWUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-9(2)8-17-12-7-10(14)3-4-11(12)16-13(17)5-6-15/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of 2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine?
2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine has a molecular weight of 251.76 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 46310938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).