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

C18H20N2O — CID 79752841

IUPAC1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H20N2O/c1-13-8-10-14(11-9-13)18(2,21)12-17-19-15-6-4-5-7-16(15)20(17)3/h4-11,21H,12H2,1-3H3
InChIKeyTXAXKXAEHAXZJS-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.33
Rot. Bonds3

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

1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol (PubChem CID 79752841) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol
PubChem CID79752841
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H20N2O/c1-13-8-10-14(11-9-13)18(2,21)12-17-19-15-6-4-5-7-16(15)20(17)3/h4-11,21H,12H2,1-3H3
InChIKeyTXAXKXAEHAXZJS-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol (CID 79752841) is 1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol is Cc1ccc(C(C)(O)Cc2nc3ccccc3n2C)cc1.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol?
The InChIKey is TXAXKXAEHAXZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-8-10-14(11-9-13)18(2,21)12-17-19-15-6-4-5-7-16(15)20(17)3/h4-11,21H,12H2,1-3H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol?
1-(1-methylbenzimidazol-2-yl)-2-(4-methylphenyl)propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 3.33, 3 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)-2-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 79752841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).