4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine

C24H22ClN3O — CID 10363819

IUPAC4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine
SMILESCCCCOc1ccccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1
InChIInChI=1S/C24H22ClN3O/c1-2-3-16-29-21-7-5-4-6-20(21)23-22(17-12-14-26-15-13-17)27-24(28-23)18-8-10-19(25)11-9-18/h4-15H,2-3,16H2,1H3,(H,27,28)
InChIKeyKBYZHMCBYCBXMV-UHFFFAOYSA-N
MW403.91 g/mol
LogP6.64
Rot. Bonds7

About 4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine

4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine (PubChem CID 10363819) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine
PubChem CID10363819
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine
SMILESCCCCOc1ccccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1
InChIInChI=1S/C24H22ClN3O/c1-2-3-16-29-21-7-5-4-6-20(21)23-22(17-12-14-26-15-13-17)27-24(28-23)18-8-10-19(25)11-9-18/h4-15H,2-3,16H2,1H3,(H,27,28)
InChIKeyKBYZHMCBYCBXMV-UHFFFAOYSA-N
XLogP6.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-(4-chlorophenyl)-4-(pyridin-3-yl)-1H-imidazol-2-yl)phenol
CID 388623
L-779,450
CID 9950176
Kallikrein 5-IN-2
CID 138115400
4-[2-(4-Chloro-phenyl)-5-(2,4-dibutoxy-phenyl)-3H-imidazol-4-yl]-pyridine
CID 9891138
2-(4-Chlorophenyl)-4-(2-phenoxyphenyl)-5-(4-pyridinyl)-1H-imidazole
CID 10093802
4-[5-(4-Fluoro-phenyl)-2-(4-methoxy-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10215420
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102
4-(4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10639924
4-[5-(4-Fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
CID 10761882
(5-(3,4-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11524437
(5-(2,4-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11611325
(5-(4-Chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11653749

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine (CID 10363819) is 4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine is CCCCOc1ccccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1.
What is the InChIKey of 4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine?
The InChIKey is KBYZHMCBYCBXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-2-3-16-29-21-7-5-4-6-20(21)23-22(17-12-14-26-15-13-17)27-24(28-23)18-8-10-19(25)11-9-18/h4-15H,2-3,16H2,1H3,(H,27,28).
What are the key properties of 4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine?
4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine has a molecular weight of 403.91 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-butoxyphenyl)-2-(4-chlorophenyl)-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 10363819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).