4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole

C25H23ClN2 — CID 53312404

IUPAC4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole
SMILESCCCc1c(-c2ccc(Cl)cc2)ncn1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H23ClN2/c1-2-7-24-25(21-12-14-23(26)15-13-21)27-18-28(24)17-19-8-6-11-22(16-19)20-9-4-3-5-10-20/h3-6,8-16,18H,2,7,17H2,1H3
InChIKeySFROKFOYHOIQBG-UHFFFAOYSA-N
MW386.93 g/mol
LogP6.87
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole

4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole (PubChem CID 53312404) has the molecular formula C25H23ClN2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole
PubChem CID53312404
Molecular FormulaC25H23ClN2
Molecular Weight386.93 g/mol
Exact Mass386.15
IUPAC Name4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole
SMILESCCCc1c(-c2ccc(Cl)cc2)ncn1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H23ClN2/c1-2-7-24-25(21-12-14-23(26)15-13-21)27-18-28(24)17-19-8-6-11-22(16-19)20-9-4-3-5-10-20/h3-6,8-16,18H,2,7,17H2,1H3
InChIKeySFROKFOYHOIQBG-UHFFFAOYSA-N
XLogP6.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.93
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole?
The IUPAC name of 4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole (CID 53312404) is 4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole is CCCc1c(-c2ccc(Cl)cc2)ncn1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole?
The InChIKey is SFROKFOYHOIQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2/c1-2-7-24-25(21-12-14-23(26)15-13-21)27-18-28(24)17-19-8-6-11-22(16-19)20-9-4-3-5-10-20/h3-6,8-16,18H,2,7,17H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole?
4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole has a molecular weight of 386.93 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole is sourced from PubChem (CID 53312404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).