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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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).