[3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol

C13H14N2O — CID 90732489

IUPAC[3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol
SMILESOCc1cncn1CC1=CC=CC=CC=C1
InChIInChI=1S/C13H14N2O/c16-10-13-8-14-11-15(13)9-12-6-4-2-1-3-5-7-12/h1-8,11,16H,9-10H2
InChIKeyOUWBGFQNHUXSAT-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.98
Rot. Bonds3

About [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol

[3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol (PubChem CID 90732489) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol
PubChem CID90732489
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name[3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol
SMILESOCc1cncn1CC1=CC=CC=CC=C1
InChIInChI=1S/C13H14N2O/c16-10-13-8-14-11-15(13)9-12-6-4-2-1-3-5-7-12/h1-8,11,16H,9-10H2
InChIKeyOUWBGFQNHUXSAT-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol 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 [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol?
The IUPAC name of [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol (CID 90732489) is [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol is OCc1cncn1CC1=CC=CC=CC=C1.
What is the InChIKey of [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol?
The InChIKey is OUWBGFQNHUXSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-10-13-8-14-11-15(13)9-12-6-4-2-1-3-5-7-12/h1-8,11,16H,9-10H2.
What are the key properties of [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol?
[3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol has a molecular weight of 214.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol is sourced from PubChem (CID 90732489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).