1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide

C24H20ClF2N3O — CID 143108460

IUPAC1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide
SMILESCN(C(=O)C1CN(c2ccc(Cl)cc2)C(Cc2ccc(F)cc2)=N1)c1ccc(F)cc1
InChIInChI=1S/C24H20ClF2N3O/c1-29(20-12-8-19(27)9-13-20)24(31)22-15-30(21-10-4-17(25)5-11-21)23(28-22)14-16-2-6-18(26)7-3-16/h2-13,22H,14-15H2,1H3
InChIKeyPEXBCMANUXALMB-UHFFFAOYSA-N
MW439.89 g/mol
LogP5.11
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide

1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide (PubChem CID 143108460) has the molecular formula C24H20ClF2N3O and a molecular weight of 439.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide
PubChem CID143108460
Molecular FormulaC24H20ClF2N3O
Molecular Weight439.89 g/mol
Exact Mass439.13
IUPAC Name1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide
SMILESCN(C(=O)C1CN(c2ccc(Cl)cc2)C(Cc2ccc(F)cc2)=N1)c1ccc(F)cc1
InChIInChI=1S/C24H20ClF2N3O/c1-29(20-12-8-19(27)9-13-20)24(31)22-15-30(21-10-4-17(25)5-11-21)23(28-22)14-16-2-6-18(26)7-3-16/h2-13,22H,14-15H2,1H3
InChIKeyPEXBCMANUXALMB-UHFFFAOYSA-N
XLogP5.11
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.89
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide (CID 143108460) is 1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide is CN(C(=O)C1CN(c2ccc(Cl)cc2)C(Cc2ccc(F)cc2)=N1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide?
The InChIKey is PEXBCMANUXALMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O/c1-29(20-12-8-19(27)9-13-20)24(31)22-15-30(21-10-4-17(25)5-11-21)23(28-22)14-16-2-6-18(26)7-3-16/h2-13,22H,14-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide?
1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide has a molecular weight of 439.89 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 143108460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).