(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol

C18H18N2O — CID 97307465

IUPAC(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
SMILESCc1ccc(Cn2ccnc2[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-14-7-9-15(10-8-14)13-20-12-11-19-18(20)17(21)16-5-3-2-4-6-16/h2-12,17,21H,13H2,1H3/t17-/m0/s1
InChIKeyMPIWNCKYACVLHE-KRWDZBQOSA-N
MW278.36 g/mol
LogP3.32
Rot. Bonds4

About (S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol

(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol (PubChem CID 97307465) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
PubChem CID97307465
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
SMILESCc1ccc(Cn2ccnc2[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-14-7-9-15(10-8-14)13-20-12-11-19-18(20)17(21)16-5-3-2-4-6-16/h2-12,17,21H,13H2,1H3/t17-/m0/s1
InChIKeyMPIWNCKYACVLHE-KRWDZBQOSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylimidazol-2-yl)-2-(4-methylphenyl)ethanol
CID 15581101
1-[1-[(4-phenylphenyl)methyl]imidazol-2-yl]ethanol
CID 142479637
(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol
CID 40899908
phenyl-[1-(thiophen-2-ylmethyl)imidazol-2-yl]methanol
CID 167786618
[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol
CID 86817089
4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol
CID 56999955
(R)-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanol
CID 99823177
(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol
CID 699896
(S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol
CID 97307458
(S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol
CID 99700063
(S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol
CID 99699763
(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol
CID 99699872

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol?
The IUPAC name of (S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol (CID 97307465) is (S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol is Cc1ccc(Cn2ccnc2[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol?
The InChIKey is MPIWNCKYACVLHE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-7-9-15(10-8-14)13-20-12-11-19-18(20)17(21)16-5-3-2-4-6-16/h2-12,17,21H,13H2,1H3/t17-/m0/s1.
What are the key properties of (S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol?
(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol has a molecular weight of 278.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 97307465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).