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

C17H18N2O2 — CID 914008

IUPAC(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
SMILESCCn1c([C@@H](O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)12-8-10-13(21-2)11-9-12/h4-11,16,20H,3H2,1-2H3/t16-/m0/s1
InChIKeyVEUFGFGUWQFGSR-INIZCTEOSA-N
MW282.34 g/mol
LogP3.15
Rot. Bonds4

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

(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol (PubChem CID 914008) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
PubChem CID914008
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
SMILESCCn1c([C@@H](O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)12-8-10-13(21-2)11-9-12/h4-11,16,20H,3H2,1-2H3/t16-/m0/s1
InChIKeyVEUFGFGUWQFGSR-INIZCTEOSA-N
XLogP3.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
CID 2850295
2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol
CID 2859643
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
CID 7316264
[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995132
(R)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797343
(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797340
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 3786297

Frequently Asked Questions

What is the IUPAC name of (S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol?
The IUPAC name of (S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol (CID 914008) is (S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol is CCn1c([C@@H](O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of (S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol?
The InChIKey is VEUFGFGUWQFGSR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)12-8-10-13(21-2)11-9-12/h4-11,16,20H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of (S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol?
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol has a molecular weight of 282.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 914008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).