(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol

C19H22N2O — CID 950441

IUPAC(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCC(C)c1ccc(Cn2c([C@H](C)O)nc3ccccc32)cc1
InChIInChI=1S/C19H22N2O/c1-13(2)16-10-8-15(9-11-16)12-21-18-7-5-4-6-17(18)20-19(21)14(3)22/h4-11,13-14,22H,12H2,1-3H3/t14-/m0/s1
InChIKeyLKYRBNCNZUNHQZ-AWEZNQCLSA-N
MW294.40 g/mol
LogP4.26
Rot. Bonds4

About (1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol

(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol (PubChem CID 950441) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
PubChem CID950441
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCC(C)c1ccc(Cn2c([C@H](C)O)nc3ccccc32)cc1
InChIInChI=1S/C19H22N2O/c1-13(2)16-10-8-15(9-11-16)12-21-18-7-5-4-6-17(18)20-19(21)14(3)22/h4-11,13-14,22H,12H2,1-3H3/t14-/m0/s1
InChIKeyLKYRBNCNZUNHQZ-AWEZNQCLSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 16987223
(1R)-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethanol
CID 673173
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 7425030
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 42904099
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
CID 2850295
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 962322
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol (CID 950441) is (1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol is CC(C)c1ccc(Cn2c([C@H](C)O)nc3ccccc32)cc1.
What is the InChIKey of (1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol?
The InChIKey is LKYRBNCNZUNHQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13(2)16-10-8-15(9-11-16)12-21-18-7-5-4-6-17(18)20-19(21)14(3)22/h4-11,13-14,22H,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol?
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol has a molecular weight of 294.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 950441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).