1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride

C21H25ClN2O3 — CID 138961191

IUPAC1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
SMILESCOc1cccc(OCC(O)Cn2c(C3CCC3)nc3ccccc32)c1.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-25-17-8-5-9-18(12-17)26-14-16(24)13-23-20-11-3-2-10-19(20)22-21(23)15-6-4-7-15;/h2-3,5,8-12,15-16,24H,4,6-7,13-14H2,1H3;1H
InChIKeyLRVKKOLKFOFXJU-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.17
Rot. Bonds7

About 1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride

1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride (PubChem CID 138961191) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
PubChem CID138961191
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
SMILESCOc1cccc(OCC(O)Cn2c(C3CCC3)nc3ccccc32)c1.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-25-17-8-5-9-18(12-17)26-14-16(24)13-23-20-11-3-2-10-19(20)22-21(23)15-6-4-7-15;/h2-3,5,8-12,15-16,24H,4,6-7,13-14H2,1H3;1H
InChIKeyLRVKKOLKFOFXJU-UHFFFAOYSA-N
XLogP4.17
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclohexylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 138960136
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
(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-(2-cyclobutylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961183
(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 27407765
1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 156620536
(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 7425022
1-[4-[3-(2-cyclopentylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one;hydrochloride
CID 138960285
1-[4-[3-(2-cyclohexylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one;hydrochloride
CID 138960186
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501278
2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996621

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride (CID 138961191) is 1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride is COc1cccc(OCC(O)Cn2c(C3CCC3)nc3ccccc32)c1.Cl.
What is the InChIKey of 1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride?
The InChIKey is LRVKKOLKFOFXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c1-25-17-8-5-9-18(12-17)26-14-16(24)13-23-20-11-3-2-10-19(20)22-21(23)15-6-4-7-15;/h2-3,5,8-12,15-16,24H,4,6-7,13-14H2,1H3;1H.
What are the key properties of 1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride?
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 138961191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).