2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole

C18H19FN2O — CID 142178795

IUPAC2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole
SMILESCOCc1[nH]c(-c2cccc(F)c2)nc1C1(C)C=CC=CC1
InChIInChI=1S/C18H19FN2O/c1-18(9-4-3-5-10-18)16-15(12-22-2)20-17(21-16)13-7-6-8-14(19)11-13/h3-9,11H,10,12H2,1-2H3,(H,20,21)
InChIKeyRCLFTWCVIQNPOU-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.14
Rot. Bonds4

About 2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole

2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole (PubChem CID 142178795) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole
PubChem CID142178795
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole
SMILESCOCc1[nH]c(-c2cccc(F)c2)nc1C1(C)C=CC=CC1
InChIInChI=1S/C18H19FN2O/c1-18(9-4-3-5-10-18)16-15(12-22-2)20-17(21-16)13-7-6-8-14(19)11-13/h3-9,11H,10,12H2,1-2H3,(H,20,21)
InChIKeyRCLFTWCVIQNPOU-UHFFFAOYSA-N
XLogP4.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
The IUPAC name of 2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole (CID 142178795) is 2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole is COCc1[nH]c(-c2cccc(F)c2)nc1C1(C)C=CC=CC1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
The InChIKey is RCLFTWCVIQNPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-18(9-4-3-5-10-18)16-15(12-22-2)20-17(21-16)13-7-6-8-14(19)11-13/h3-9,11H,10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole?
2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole has a molecular weight of 298.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole is sourced from PubChem (CID 142178795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).