2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine

C15H23N3 — CID 55244166

IUPAC2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine
SMILESCCCC(C)Cn1c(CCN)nc2ccccc21
InChIInChI=1S/C15H23N3/c1-3-6-12(2)11-18-14-8-5-4-7-13(14)17-15(18)9-10-16/h4-5,7-8,12H,3,6,9-11,16H2,1-2H3
InChIKeyKZLPKXQCVDEYPY-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.97
Rot. Bonds6

About 2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine

2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine (PubChem CID 55244166) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine
PubChem CID55244166
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine
SMILESCCCC(C)Cn1c(CCN)nc2ccccc21
InChIInChI=1S/C15H23N3/c1-3-6-12(2)11-18-14-8-5-4-7-13(14)17-15(18)9-10-16/h4-5,7-8,12H,3,6,9-11,16H2,1-2H3
InChIKeyKZLPKXQCVDEYPY-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine
CID 115970703
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
3-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]butane-1-thiol
CID 112632540
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine (CID 55244166) is 2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine is CCCC(C)Cn1c(CCN)nc2ccccc21.
What is the InChIKey of 2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine?
The InChIKey is KZLPKXQCVDEYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-6-12(2)11-18-14-8-5-4-7-13(14)17-15(18)9-10-16/h4-5,7-8,12H,3,6,9-11,16H2,1-2H3.
What are the key properties of 2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine?
2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 55244166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).