1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol

C22H28N2O2 — CID 138960839

IUPAC1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol
SMILESCCC(C)c1nc2ccccc2n1CC(O)COCc1ccc(C)cc1
InChIInChI=1S/C22H28N2O2/c1-4-17(3)22-23-20-7-5-6-8-21(20)24(22)13-19(25)15-26-14-18-11-9-16(2)10-12-18/h5-12,17,19,25H,4,13-15H2,1-3H3
InChIKeyCKYCWLCNACJRDL-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.44
Rot. Bonds8

About 1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol

1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol (PubChem CID 138960839) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol
PubChem CID138960839
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol
SMILESCCC(C)c1nc2ccccc2n1CC(O)COCc1ccc(C)cc1
InChIInChI=1S/C22H28N2O2/c1-4-17(3)22-23-20-7-5-6-8-21(20)24(22)13-19(25)15-26-14-18-11-9-16(2)10-12-18/h5-12,17,19,25H,4,13-15H2,1-3H3
InChIKeyCKYCWLCNACJRDL-UHFFFAOYSA-N
XLogP4.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride
CID 138960275
1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960829
1-(2-butan-2-ylbenzimidazol-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 138960841
1-[(4-methylphenyl)methoxy]-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960739
1-[4-[3-(2-butan-2-ylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138960849
2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole
CID 70368929
(2R)-1-(3,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 96571408
1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 138960942
1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960897
1-(2-butan-2-ylbenzimidazol-1-yl)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138960820
1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 42933902
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol?
The IUPAC name of 1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol (CID 138960839) is 1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol is CCC(C)c1nc2ccccc2n1CC(O)COCc1ccc(C)cc1.
What is the InChIKey of 1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol?
The InChIKey is CKYCWLCNACJRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-17(3)22-23-20-7-5-6-8-21(20)24(22)13-19(25)15-26-14-18-11-9-16(2)10-12-18/h5-12,17,19,25H,4,13-15H2,1-3H3.
What are the key properties of 1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol?
1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol has a molecular weight of 352.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 138960839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).