(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol

C17H18N2O — CID 762121

IUPAC(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
SMILESCCn1c([C@@H](O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)13-10-8-12(2)9-11-13/h4-11,16,20H,3H2,1-2H3/t16-/m0/s1
InChIKeyQJVOGBUHWOKTKA-INIZCTEOSA-N
MW266.34 g/mol
LogP3.45
Rot. Bonds3

About (S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol

(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol (PubChem CID 762121) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
PubChem CID762121
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
SMILESCCn1c([C@@H](O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)13-10-8-12(2)9-11-13/h4-11,16,20H,3H2,1-2H3/t16-/m0/s1
InChIKeyQJVOGBUHWOKTKA-INIZCTEOSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol
CID 2859643
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
CID 2959653
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
CID 89375402

Frequently Asked Questions

What is the IUPAC name of (S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol?
The IUPAC name of (S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol (CID 762121) is (S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol is CCn1c([C@@H](O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of (S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol?
The InChIKey is QJVOGBUHWOKTKA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)13-10-8-12(2)9-11-13/h4-11,16,20H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of (S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol?
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol has a molecular weight of 266.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 762121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).