(S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol

C15H18N2O — CID 99700063

IUPAC(S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1nccn1CC1CCC1
InChIInChI=1S/C15H18N2O/c18-14(13-7-2-1-3-8-13)15-16-9-10-17(15)11-12-5-4-6-12/h1-3,7-10,12,14,18H,4-6,11H2/t14-/m0/s1
InChIKeyJMBARQBTTHCMKN-AWEZNQCLSA-N
MW242.32 g/mol
LogP2.76
Rot. Bonds4

About (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol

(S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol (PubChem CID 99700063) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol
PubChem CID99700063
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1nccn1CC1CCC1
InChIInChI=1S/C15H18N2O/c18-14(13-7-2-1-3-8-13)15-16-9-10-17(15)11-12-5-4-6-12/h1-3,7-10,12,14,18H,4-6,11H2/t14-/m0/s1
InChIKeyJMBARQBTTHCMKN-AWEZNQCLSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol?
The IUPAC name of (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol (CID 99700063) is (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol is O[C@@H](c1ccccc1)c1nccn1CC1CCC1.
What is the InChIKey of (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol?
The InChIKey is JMBARQBTTHCMKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O/c18-14(13-7-2-1-3-8-13)15-16-9-10-17(15)11-12-5-4-6-12/h1-3,7-10,12,14,18H,4-6,11H2/t14-/m0/s1.
What are the key properties of (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol?
(S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol has a molecular weight of 242.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 99700063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).