1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol

C20H23ClN2O2 — CID 138960959

IUPAC1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
SMILESCc1ccc(OCC(O)Cn2c(C(C)C)nc3ccccc32)c(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-13(2)20-22-17-6-4-5-7-18(17)23(20)11-15(24)12-25-19-9-8-14(3)10-16(19)21/h4-10,13,15,24H,11-12H2,1-3H3
InChIKeyVRIRERWEEGQWCP-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.56
Rot. Bonds6

About 1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol

1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol (PubChem CID 138960959) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
PubChem CID138960959
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
SMILESCc1ccc(OCC(O)Cn2c(C(C)C)nc3ccccc32)c(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-13(2)20-22-17-6-4-5-7-18(17)23(20)11-15(24)12-25-19-9-8-14(3)10-16(19)21/h4-10,13,15,24H,11-12H2,1-3H3
InChIKeyVRIRERWEEGQWCP-UHFFFAOYSA-N
XLogP4.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.56
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
(2R)-1-(3,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 96571408
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886
1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
CID 138960775
1-naphthalen-2-yloxy-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 15998647
1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960774
1-(2-butan-2-ylbenzimidazol-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 138960841
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2-chloro-5-methylphenoxy)propan-2-ol
CID 26741924
(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 877426
1-[2-[(2S)-2-hydroxy-3-(2-propan-2-ylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090516
1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 44884546
(2S)-1-(5-methyl-2-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 40547431

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol (CID 138960959) is 1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol is Cc1ccc(OCC(O)Cn2c(C(C)C)nc3ccccc32)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is VRIRERWEEGQWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13(2)20-22-17-6-4-5-7-18(17)23(20)11-15(24)12-25-19-9-8-14(3)10-16(19)21/h4-10,13,15,24H,11-12H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol?
1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 358.87 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 138960959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).