(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride

C13H20ClN3 — CID 133143576

IUPAC(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
SMILESCC(C)Cn1c([C@@H](C)N)nc2ccccc21.Cl
InChIInChI=1S/C13H19N3.ClH/c1-9(2)8-16-12-7-5-4-6-11(12)15-13(16)10(3)14;/h4-7,9-10H,8,14H2,1-3H3;1H/t10-;/m1./s1
InChIKeyZQCSAYQBDXEYDN-HNCPQSOCSA-N
MW253.78 g/mol
LogP3.13
Rot. Bonds3

About (1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride

(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride (PubChem CID 133143576) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is (1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
PubChem CID133143576
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
SMILESCC(C)Cn1c([C@@H](C)N)nc2ccccc21.Cl
InChIInChI=1S/C13H19N3.ClH/c1-9(2)8-16-12-7-5-4-6-11(12)15-13(16)10(3)14;/h4-7,9-10H,8,14H2,1-3H3;1H/t10-;/m1./s1
InChIKeyZQCSAYQBDXEYDN-HNCPQSOCSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol
CID 40699134
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
CID 133143586
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54757557
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272036
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969940
2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole
CID 18877904

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of (1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride (CID 133143576) is (1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride is CC(C)Cn1c([C@@H](C)N)nc2ccccc21.Cl.
What is the InChIKey of (1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride?
The InChIKey is ZQCSAYQBDXEYDN-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H19N3.ClH/c1-9(2)8-16-12-7-5-4-6-11(12)15-13(16)10(3)14;/h4-7,9-10H,8,14H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride?
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride has a molecular weight of 253.78 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 133143576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).