2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide

C24H21F2N5O — CID 155069000

IUPAC2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)[nH]1
InChIInChI=1S/C24H21F2N5O/c25-16-11-9-15(10-12-16)21-22(31(14-28-21)17-5-1-2-6-17)23-27-13-20(29-23)24(32)30-19-8-4-3-7-18(19)26/h3-4,7-14,17H,1-2,5-6H2,(H,27,29)(H,30,32)
InChIKeyFJICSOOOGVNUCL-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.59
Rot. Bonds5

About 2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide

2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide (PubChem CID 155069000) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide
PubChem CID155069000
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)[nH]1
InChIInChI=1S/C24H21F2N5O/c25-16-11-9-15(10-12-16)21-22(31(14-28-21)17-5-1-2-6-17)23-27-13-20(29-23)24(32)30-19-8-4-3-7-18(19)26/h3-4,7-14,17H,1-2,5-6H2,(H,27,29)(H,30,32)
InChIKeyFJICSOOOGVNUCL-UHFFFAOYSA-N
XLogP5.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide (CID 155069000) is 2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide is O=C(Nc1ccccc1F)c1cnc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)[nH]1.
What is the InChIKey of 2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide?
The InChIKey is FJICSOOOGVNUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c25-16-11-9-15(10-12-16)21-22(31(14-28-21)17-5-1-2-6-17)23-27-13-20(29-23)24(32)30-19-8-4-3-7-18(19)26/h3-4,7-14,17H,1-2,5-6H2,(H,27,29)(H,30,32).
What are the key properties of 2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide?
2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 155069000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).