(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol

C18H20N2O — CID 2891070

IUPAC(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H20N2O/c1-12(2)13-8-10-14(11-9-13)17(21)18-19-15-6-4-5-7-16(15)20(18)3/h4-12,17,21H,1-3H3
InChIKeyDXNJPMHZAPWHNN-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.78
Rot. Bonds3

About (1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol

(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol (PubChem CID 2891070) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
PubChem CID2891070
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H20N2O/c1-12(2)13-8-10-14(11-9-13)17(21)18-19-15-6-4-5-7-16(15)20(18)3/h4-12,17,21H,1-3H3
InChIKeyDXNJPMHZAPWHNN-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 929475
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
(R)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797343
(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797340
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
(R)-phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
CID 799402
(1-methylbenzimidazol-2-yl)-naphthalen-1-ylmethanol
CID 2870493
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 2870450
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid
CID 23453414

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol (CID 2891070) is (1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)c2nc3ccccc3n2C)cc1.
What is the InChIKey of (1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is DXNJPMHZAPWHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12(2)13-8-10-14(11-9-13)17(21)18-19-15-6-4-5-7-16(15)20(18)3/h4-12,17,21H,1-3H3.
What are the key properties of (1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol?
(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 280.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 2891070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).