(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride

C12H18ClN3 — CID 133143586

IUPAC(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
SMILESCC(C)n1c([C@@H](C)N)nc2ccccc21.Cl
InChIInChI=1S/C12H17N3.ClH/c1-8(2)15-11-7-5-4-6-10(11)14-12(15)9(3)13;/h4-9H,13H2,1-3H3;1H/t9-;/m1./s1
InChIKeyUGHIQPWXMIWQJO-SBSPUUFOSA-N
MW239.75 g/mol
LogP3.06
Rot. Bonds2

About (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride

(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride (PubChem CID 133143586) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
PubChem CID133143586
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
SMILESCC(C)n1c([C@@H](C)N)nc2ccccc21.Cl
InChIInChI=1S/C12H17N3.ClH/c1-8(2)15-11-7-5-4-6-10(11)14-12(15)9(3)13;/h4-9H,13H2,1-3H3;1H/t9-;/m1./s1
InChIKeyUGHIQPWXMIWQJO-SBSPUUFOSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
CID 122169362
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
CID 82333985
(1R)-1-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanamine
CID 97005120
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
(R)-phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
CID 799402
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
2-(diethoxymethyl)-1-propan-2-ylbenzimidazole
CID 63772166
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride (CID 133143586) is (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride is CC(C)n1c([C@@H](C)N)nc2ccccc21.Cl.
What is the InChIKey of (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride?
The InChIKey is UGHIQPWXMIWQJO-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H17N3.ClH/c1-8(2)15-11-7-5-4-6-10(11)14-12(15)9(3)13;/h4-9H,13H2,1-3H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride?
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 133143586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).