1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol

C22H26N2O2 — CID 44884546

IUPAC1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)Cn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C22H26N2O2/c1-4-9-17-10-5-8-13-21(17)26-15-18(25)14-24-20-12-7-6-11-19(20)23-22(24)16(2)3/h4-8,10-13,16,18,25H,1,9,14-15H2,2-3H3
InChIKeyPLHSHDCSZDXGKN-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.33
Rot. Bonds8

About 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol

1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 44884546) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
PubChem CID44884546
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)Cn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C22H26N2O2/c1-4-9-17-10-5-8-13-21(17)26-15-18(25)14-24-20-12-7-6-11-19(20)23-22(24)16(2)3/h4-8,10-13,16,18,25H,1,9,14-15H2,2-3H3
InChIKeyPLHSHDCSZDXGKN-UHFFFAOYSA-N
XLogP4.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 3152611
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886
1-(2-cyclopentylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138960308
1-[2-[(2S)-2-hydroxy-3-(2-propan-2-ylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090516
1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol
CID 4105773
1-[2-(oxan-4-yl)benzimidazol-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138960595
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-naphthalen-2-yloxy-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 15998647
1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960959
1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878080
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-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol (CID 44884546) is 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol is C=CCc1ccccc1OCC(O)Cn1c(C(C)C)nc2ccccc21.
What is the InChIKey of 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is PLHSHDCSZDXGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-9-17-10-5-8-13-21(17)26-15-18(25)14-24-20-12-7-6-11-19(20)23-22(24)16(2)3/h4-8,10-13,16,18,25H,1,9,14-15H2,2-3H3.
What are the key properties of 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 350.46 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 44884546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).