1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride

C23H29ClN2O2 — CID 138960275

IUPAC1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride
SMILESCc1ccc(COCC(O)Cn2c(C3CCCC3)nc3ccccc32)cc1.Cl
InChIInChI=1S/C23H28N2O2.ClH/c1-17-10-12-18(13-11-17)15-27-16-20(26)14-25-22-9-5-4-8-21(22)24-23(25)19-6-2-3-7-19;/h4-5,8-13,19-20,26H,2-3,6-7,14-16H2,1H3;1H
InChIKeyCLWPDIYGJBWAGT-UHFFFAOYSA-N
MW400.95 g/mol
LogP5.00
Rot. Bonds7

About 1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride

1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride (PubChem CID 138960275) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride
PubChem CID138960275
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride
SMILESCc1ccc(COCC(O)Cn2c(C3CCCC3)nc3ccccc32)cc1.Cl
InChIInChI=1S/C23H28N2O2.ClH/c1-17-10-12-18(13-11-17)15-27-16-20(26)14-25-22-9-5-4-8-21(22)24-23(25)19-6-2-3-7-19;/h4-5,8-13,19-20,26H,2-3,6-7,14-16H2,1H3;1H
InChIKeyCLWPDIYGJBWAGT-UHFFFAOYSA-N
XLogP5.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methoxy]-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960739
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
1-(2-cyclobutylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961183
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 138960136
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501278
1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960309
1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol
CID 138960310
1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol
CID 138960839
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 96571491
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 71296329
1-[4-[3-(2-cyclopentylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one;hydrochloride
CID 138960285
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138961191

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride (CID 138960275) is 1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride is Cc1ccc(COCC(O)Cn2c(C3CCCC3)nc3ccccc32)cc1.Cl.
What is the InChIKey of 1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride?
The InChIKey is CLWPDIYGJBWAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2.ClH/c1-17-10-12-18(13-11-17)15-27-16-20(26)14-25-22-9-5-4-8-21(22)24-23(25)19-6-2-3-7-19;/h4-5,8-13,19-20,26H,2-3,6-7,14-16H2,1H3;1H.
What are the key properties of 1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride?
1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 138960275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).