4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide

C22H14Cl2FN3O — CID 14100150

IUPAC4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C22H14Cl2FN3O/c23-15-5-1-13(2-6-15)19-20(14-3-7-16(24)8-4-14)28-21(27-19)22(29)26-18-11-9-17(25)10-12-18/h1-12H,(H,26,29)(H,27,28)
InChIKeyBBTIXNLCYPJVAV-UHFFFAOYSA-N
MW426.28 g/mol
LogP6.44
Rot. Bonds4

About 4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide

4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide (PubChem CID 14100150) has the molecular formula C22H14Cl2FN3O and a molecular weight of 426.28 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide
PubChem CID14100150
Molecular FormulaC22H14Cl2FN3O
Molecular Weight426.28 g/mol
Exact Mass425.05
IUPAC Name4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C22H14Cl2FN3O/c23-15-5-1-13(2-6-15)19-20(14-3-7-16(24)8-4-14)28-21(27-19)22(29)26-18-11-9-17(25)10-12-18/h1-12H,(H,26,29)(H,27,28)
InChIKeyBBTIXNLCYPJVAV-UHFFFAOYSA-N
XLogP6.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.28
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-bis(4-methoxyphenyl)-N-phenyl-1H-imidazole-2-carboxamide
CID 14100144
1-(4-chlorophenyl)-N,5-bis(4-fluorophenyl)-1,2,4-triazole-3-carboxamide
CID 124786561
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
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N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050714
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
2-N-[(4-chlorophenyl)methyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109097951
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
CID 1205346
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109098835
5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 2804180
N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 51065363

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide (CID 14100150) is 4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide is O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide?
The InChIKey is BBTIXNLCYPJVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN3O/c23-15-5-1-13(2-6-15)19-20(14-3-7-16(24)8-4-14)28-21(27-19)22(29)26-18-11-9-17(25)10-12-18/h1-12H,(H,26,29)(H,27,28).
What are the key properties of 4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide?
4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide has a molecular weight of 426.28 g/mol, XLogP of 6.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 14100150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).