[5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol

C11H11FN2O — CID 144654316

IUPAC[5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol
SMILESOCc1ncc(C2=CC=C(F)C=CC2)[nH]1
InChIInChI=1S/C11H11FN2O/c12-9-3-1-2-8(4-5-9)10-6-13-11(7-15)14-10/h1,3-6,15H,2,7H2,(H,13,14)
InChIKeyJVYMCKIUBCOWSZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.10
Rot. Bonds2

About [5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol

[5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol (PubChem CID 144654316) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol
PubChem CID144654316
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol
SMILESOCc1ncc(C2=CC=C(F)C=CC2)[nH]1
InChIInChI=1S/C11H11FN2O/c12-9-3-1-2-8(4-5-9)10-6-13-11(7-15)14-10/h1,3-6,15H,2,7H2,(H,13,14)
InChIKeyJVYMCKIUBCOWSZ-UHFFFAOYSA-N
XLogP2.10
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazole
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5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole
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[5-[(3Z)-2,5-dihydroazocin-5-yl]-1H-imidazol-2-yl]-[[(1Z,3E,5Z)-3-fluoro-2-piperidin-1-ylhepta-1,3,5-trienyl]amino]methanol
CID 144287809
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(3-fluorocyclohepta-1,3,5-trien-1-yl)-(1H-imidazol-5-yl)methanol
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2-methyl-5-pent-2-en-3-yl-1H-imidazole
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2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole
CID 123565545
2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol?
The IUPAC name of [5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol (CID 144654316) is [5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol.
What is the SMILES notation for [5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol?
The canonical SMILES for [5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol is OCc1ncc(C2=CC=C(F)C=CC2)[nH]1.
What is the InChIKey of [5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol?
The InChIKey is JVYMCKIUBCOWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-3-1-2-8(4-5-9)10-6-13-11(7-15)14-10/h1,3-6,15H,2,7H2,(H,13,14).
What are the key properties of [5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol?
[5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol has a molecular weight of 206.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorocyclohepta-1,3,5-trien-1-yl)-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 144654316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).