(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol

C17H18N2O2 — CID 797340

IUPAC(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
SMILESCCOc1ccc([C@H](O)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H18N2O2/c1-3-21-13-10-8-12(9-11-13)16(20)17-18-14-6-4-5-7-15(14)19(17)2/h4-11,16,20H,3H2,1-2H3/t16-/m0/s1
InChIKeyPOCNPIPFSFHTQI-INIZCTEOSA-N
MW282.34 g/mol
LogP3.05
Rot. Bonds4

About (S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol

(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol (PubChem CID 797340) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
PubChem CID797340
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
SMILESCCOc1ccc([C@H](O)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H18N2O2/c1-3-21-13-10-8-12(9-11-13)16(20)17-18-14-6-4-5-7-15(14)19(17)2/h4-11,16,20H,3H2,1-2H3/t16-/m0/s1
InChIKeyPOCNPIPFSFHTQI-INIZCTEOSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797343
(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 2891070
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 95772905
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008
(1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 927352
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
(1-methylbenzimidazol-2-yl)-naphthalen-1-ylmethanol
CID 2870493
ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
CID 83441215
(4-ethoxyphenyl)-quinolin-3-ylmethanol
CID 63893046
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 2870450

Frequently Asked Questions

What is the IUPAC name of (S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
The IUPAC name of (S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol (CID 797340) is (S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
The canonical SMILES for (S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol is CCOc1ccc([C@H](O)c2nc3ccccc3n2C)cc1.
What is the InChIKey of (S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
The InChIKey is POCNPIPFSFHTQI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-21-13-10-8-12(9-11-13)16(20)17-18-14-6-4-5-7-15(14)19(17)2/h4-11,16,20H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of (S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol has a molecular weight of 282.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 797340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).