5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole

C22H20ClFN4 — CID 172825375

IUPAC5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole
SMILESCCCCn1cnc(-c2[nH]c(-c3c(F)cccc3Cl)nc2-c2ccccc2)c1
InChIInChI=1S/C22H20ClFN4/c1-2-3-12-28-13-18(25-14-28)21-20(15-8-5-4-6-9-15)26-22(27-21)19-16(23)10-7-11-17(19)24/h4-11,13-14H,2-3,12H2,1H3,(H,26,27)
InChIKeyUUEUVRWVGLTPOB-UHFFFAOYSA-N
MW394.88 g/mol
LogP6.20
Rot. Bonds6

About 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole

5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole (PubChem CID 172825375) has the molecular formula C22H20ClFN4 and a molecular weight of 394.88 g/mol. Its IUPAC name is 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole
PubChem CID172825375
Molecular FormulaC22H20ClFN4
Molecular Weight394.88 g/mol
Exact Mass394.14
IUPAC Name5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole
SMILESCCCCn1cnc(-c2[nH]c(-c3c(F)cccc3Cl)nc2-c2ccccc2)c1
InChIInChI=1S/C22H20ClFN4/c1-2-3-12-28-13-18(25-14-28)21-20(15-8-5-4-6-9-15)26-22(27-21)19-16(23)10-7-11-17(19)24/h4-11,13-14H,2-3,12H2,1H3,(H,26,27)
InChIKeyUUEUVRWVGLTPOB-UHFFFAOYSA-N
XLogP6.20
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole with MolForge

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

Launch Full Analysis

Related Compounds

1-butyl-4-(2-chlorophenyl)imidazole
CID 174588964
5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 11705579
5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine
CID 87616844
3-butyl-5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
CID 87616607
N-(1-butylbenzimidazol-2-yl)-7-chloro-2-(2-chloro-6-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 53357728
6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine
CID 68866740
2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole
CID 172764921
2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 70833482
5-(2,6-dichlorophenyl)-4-phenyl-2-(1H-pyrrol-3-yl)-1H-imidazole
CID 152504378
3-(2-chloro-6-fluorophenyl)-5-(4-dodecylphenyl)-1-methyl-1,2,4-triazole
CID 139650045
3-(1-butylimidazol-4-yl)pyridine
CID 58668046
6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 11756689

Frequently Asked Questions

What is the IUPAC name of 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole?
The IUPAC name of 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole (CID 172825375) is 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole.
What is the SMILES notation for 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole?
The canonical SMILES for 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole is CCCCn1cnc(-c2[nH]c(-c3c(F)cccc3Cl)nc2-c2ccccc2)c1.
What is the InChIKey of 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole?
The InChIKey is UUEUVRWVGLTPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4/c1-2-3-12-28-13-18(25-14-28)21-20(15-8-5-4-6-9-15)26-22(27-21)19-16(23)10-7-11-17(19)24/h4-11,13-14H,2-3,12H2,1H3,(H,26,27).
What are the key properties of 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole?
5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole has a molecular weight of 394.88 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole is sourced from PubChem (CID 172825375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).