2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole

C23H22F2N4 — CID 172764921

IUPAC2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole
SMILESCC(C)Cn1cnc(-c2c(-c3ccccc3)nc(-c3c(F)cccc3F)n2C)c1
InChIInChI=1S/C23H22F2N4/c1-15(2)12-29-13-19(26-14-29)22-21(16-8-5-4-6-9-16)27-23(28(22)3)20-17(24)10-7-11-18(20)25/h4-11,13-15H,12H2,1-3H3
InChIKeyMELJNNOPZWPKEN-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.55
Rot. Bonds5

About 2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole

2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole (PubChem CID 172764921) has the molecular formula C23H22F2N4 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole
PubChem CID172764921
Molecular FormulaC23H22F2N4
Molecular Weight392.45 g/mol
Exact Mass392.18
IUPAC Name2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole
SMILESCC(C)Cn1cnc(-c2c(-c3ccccc3)nc(-c3c(F)cccc3F)n2C)c1
InChIInChI=1S/C23H22F2N4/c1-15(2)12-29-13-19(26-14-29)22-21(16-8-5-4-6-9-16)27-23(28(22)3)20-17(24)10-7-11-18(20)25/h4-11,13-15H,12H2,1-3H3
InChIKeyMELJNNOPZWPKEN-UHFFFAOYSA-N
XLogP5.55
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole
CID 174505050
5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole
CID 172825375
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
2-fluoro-6-[(4-phenylimidazol-1-yl)methyl]pyridine
CID 166402136
5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole
CID 122227299
(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol
CID 95138308
5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole
CID 50967402
1-[(4-chlorophenyl)methyl]-4-phenylimidazole
CID 18755603
3-(2-methylpropyl)-5-phenylimidazol-4-amine
CID 62017938
1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane
CID 145149010
2-[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460613
1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
CID 59568251

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole?
The IUPAC name of 2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole (CID 172764921) is 2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole is CC(C)Cn1cnc(-c2c(-c3ccccc3)nc(-c3c(F)cccc3F)n2C)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole?
The InChIKey is MELJNNOPZWPKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4/c1-15(2)12-29-13-19(26-14-29)22-21(16-8-5-4-6-9-16)27-23(28(22)3)20-17(24)10-7-11-18(20)25/h4-11,13-15H,12H2,1-3H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole?
2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole has a molecular weight of 392.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole is sourced from PubChem (CID 172764921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).