1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol

C18H20N2O — CID 79755900

IUPAC1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H20N2O/c1-13-7-9-14(10-8-13)11-15(21)12-18-19-16-5-3-4-6-17(16)20(18)2/h3-10,15,21H,11-12H2,1-2H3
InChIKeyNZRGDARCFZHDPJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.03
Rot. Bonds4

About 1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol

1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol (PubChem CID 79755900) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
PubChem CID79755900
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H20N2O/c1-13-7-9-14(10-8-13)11-15(21)12-18-19-16-5-3-4-6-17(16)20(18)2/h3-10,15,21H,11-12H2,1-2H3
InChIKeyNZRGDARCFZHDPJ-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 79754356
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
CID 79755905
1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
CID 79753857
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol (CID 79755900) is 1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2nc3ccccc3n2C)cc1.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol?
The InChIKey is NZRGDARCFZHDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-7-9-14(10-8-13)11-15(21)12-18-19-16-5-3-4-6-17(16)20(18)2/h3-10,15,21H,11-12H2,1-2H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol?
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 79755900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).