(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol

C21H18N2O — CID 699896

IUPAC(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol
SMILESO[C@@H](c1cccc2ccccc12)c1nccn1Cc1ccccc1
InChIInChI=1S/C21H18N2O/c24-20(19-12-6-10-17-9-4-5-11-18(17)19)21-22-13-14-23(21)15-16-7-2-1-3-8-16/h1-14,20,24H,15H2/t20-/m0/s1
InChIKeyZVCXGLSQULKIGC-FQEVSTJZSA-N
MW314.39 g/mol
LogP4.17
Rot. Bonds4

About (S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol

(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol (PubChem CID 699896) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol
PubChem CID699896
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol
SMILESO[C@@H](c1cccc2ccccc12)c1nccn1Cc1ccccc1
InChIInChI=1S/C21H18N2O/c24-20(19-12-6-10-17-9-4-5-11-18(17)19)21-22-13-14-23(21)15-16-7-2-1-3-8-16/h1-14,20,24H,15H2/t20-/m0/s1
InChIKeyZVCXGLSQULKIGC-FQEVSTJZSA-N
XLogP4.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol
CID 40899908
(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
CID 97307465
(1-ethylimidazol-2-yl)-quinolin-8-ylmethanol
CID 55126409
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-benzyl-2-chloroimidazole
CID 11629752
(R)-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanol
CID 99823177
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol
CID 56999955
(R)-(3-methyl-2-propan-2-ylimidazol-4-yl)-naphthalen-1-ylmethanol
CID 763704

Frequently Asked Questions

What is the IUPAC name of (S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol?
The IUPAC name of (S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol (CID 699896) is (S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol?
The canonical SMILES for (S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol is O[C@@H](c1cccc2ccccc12)c1nccn1Cc1ccccc1.
What is the InChIKey of (S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol?
The InChIKey is ZVCXGLSQULKIGC-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18N2O/c24-20(19-12-6-10-17-9-4-5-11-18(17)19)21-22-13-14-23(21)15-16-7-2-1-3-8-16/h1-14,20,24H,15H2/t20-/m0/s1.
What are the key properties of (S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol?
(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol has a molecular weight of 314.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 699896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).