1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol

C21H24N2O2 — CID 4105773

IUPAC1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1cc(C)ccc1OCC(O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C21H24N2O2/c1-4-7-17-12-15(2)10-11-21(17)25-14-18(24)13-23-16(3)22-19-8-5-6-9-20(19)23/h4-6,8-12,18,24H,1,7,13-14H2,2-3H3
InChIKeyNTALOGZKDYZRFL-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.82
Rot. Bonds7

About 1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol

1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 4105773) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol
PubChem CID4105773
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1cc(C)ccc1OCC(O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C21H24N2O2/c1-4-7-17-12-15(2)10-11-21(17)25-14-18(24)13-23-16(3)22-19-8-5-6-9-20(19)23/h4-6,8-12,18,24H,1,7,13-14H2,2-3H3
InChIKeyNTALOGZKDYZRFL-UHFFFAOYSA-N
XLogP3.82
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.82
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-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 44884546
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 877426
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
1-(2-cyclopentylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138960308
1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090509
1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960959
1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960897
1-[2-(oxan-4-yl)benzimidazol-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138960595

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol (CID 4105773) is 1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol is C=CCc1cc(C)ccc1OCC(O)Cn1c(C)nc2ccccc21.
What is the InChIKey of 1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is NTALOGZKDYZRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-7-17-12-15(2)10-11-21(17)25-14-18(24)13-23-16(3)22-19-8-5-6-9-20(19)23/h4-6,8-12,18,24H,1,7,13-14H2,2-3H3.
What are the key properties of 1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol?
1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 336.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 4105773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).