1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride

C20H25ClN2O2 — CID 138960886

IUPAC1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
SMILESCc1ccccc1OCC(O)Cn1c(C(C)C)nc2ccccc21.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-14(2)20-21-17-9-5-6-10-18(17)22(20)12-16(23)13-24-19-11-7-4-8-15(19)3;/h4-11,14,16,23H,12-13H2,1-3H3;1H
InChIKeyKHGNWKUDEDESQH-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.33
Rot. Bonds6

About 1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride

1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride (PubChem CID 138960886) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
PubChem CID138960886
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
SMILESCc1ccccc1OCC(O)Cn1c(C(C)C)nc2ccccc21.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-14(2)20-21-17-9-5-6-10-18(17)22(20)12-16(23)13-24-19-11-7-4-8-15(19)3;/h4-11,14,16,23H,12-13H2,1-3H3;1H
InChIKeyKHGNWKUDEDESQH-UHFFFAOYSA-N
XLogP4.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960897
1-[2-[(2S)-2-hydroxy-3-(2-propan-2-ylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090516
(2R)-1-(3,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 96571408
1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960959
1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 44884546
1-naphthalen-2-yloxy-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 15998647
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 156620728
1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol
CID 42942526
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
1-(2-butan-2-ylbenzimidazol-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 138960841
1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 138960942
1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960829

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride (CID 138960886) is 1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride is Cc1ccccc1OCC(O)Cn1c(C(C)C)nc2ccccc21.Cl.
What is the InChIKey of 1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride?
The InChIKey is KHGNWKUDEDESQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-14(2)20-21-17-9-5-6-10-18(17)22(20)12-16(23)13-24-19-11-7-4-8-15(19)3;/h4-11,14,16,23H,12-13H2,1-3H3;1H.
What are the key properties of 1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride?
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 138960886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).