(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol

C19H20N2O2 — CID 40899908

IUPAC(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1[C@H](O)c1nccn1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-23-17-11-7-6-10-16(17)18(22)19-20-12-13-21(19)14-15-8-4-3-5-9-15/h3-13,18,22H,2,14H2,1H3/t18-/m0/s1
InChIKeyZMBSEUMZKKUAMO-SFHVURJKSA-N
MW308.38 g/mol
LogP3.41
Rot. Bonds6

About (S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol

(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol (PubChem CID 40899908) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol
PubChem CID40899908
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1[C@H](O)c1nccn1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-23-17-11-7-6-10-16(17)18(22)19-20-12-13-21(19)14-15-8-4-3-5-9-15/h3-13,18,22H,2,14H2,1H3/t18-/m0/s1
InChIKeyZMBSEUMZKKUAMO-SFHVURJKSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol
CID 699896
(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
CID 97307465
1-(1-benzylimidazol-2-yl)-2-(4-methylphenyl)ethanol
CID 15581101
1-[1-[(4-phenylphenyl)methyl]imidazol-2-yl]ethanol
CID 142479637
1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole
CID 101370154
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol
CID 86817089
1-[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 55109330
(2,5-dimethoxyphenyl)-(1-ethylimidazol-2-yl)methanol
CID 3140475
2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16580437

Frequently Asked Questions

What is the IUPAC name of (S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol?
The IUPAC name of (S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol (CID 40899908) is (S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol.
What is the SMILES notation for (S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol?
The canonical SMILES for (S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol is CCOc1ccccc1[C@H](O)c1nccn1Cc1ccccc1.
What is the InChIKey of (S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol?
The InChIKey is ZMBSEUMZKKUAMO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-23-17-11-7-6-10-16(17)18(22)19-20-12-13-21(19)14-15-8-4-3-5-9-15/h3-13,18,22H,2,14H2,1H3/t18-/m0/s1.
What are the key properties of (S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol?
(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol has a molecular weight of 308.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol is sourced from PubChem (CID 40899908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).