5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide

C26H24FN3O3 — CID 53036109

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C26H24FN3O3/c1-32-21-9-5-4-8-20(21)29-26(31)23-15-14-22(33-23)25-24(17-10-12-18(27)13-11-17)28-16-30(25)19-6-2-3-7-19/h4-5,8-16,19H,2-3,6-7H2,1H3,(H,29,31)
InChIKeyBPSYQQWLXMMBAX-UHFFFAOYSA-N
MW445.49 g/mol
LogP6.33
Rot. Bonds6

About 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide (PubChem CID 53036109) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide
PubChem CID53036109
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C26H24FN3O3/c1-32-21-9-5-4-8-20(21)29-26(31)23-15-14-22(33-23)25-24(17-10-12-18(27)13-11-17)28-16-30(25)19-6-2-3-7-19/h4-5,8-16,19H,2-3,6-7H2,1H3,(H,29,31)
InChIKeyBPSYQQWLXMMBAX-UHFFFAOYSA-N
XLogP6.33
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide (CID 53036109) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide is COc1ccccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The InChIKey is BPSYQQWLXMMBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-32-21-9-5-4-8-20(21)29-26(31)23-15-14-22(33-23)25-24(17-10-12-18(27)13-11-17)28-16-30(25)19-6-2-3-7-19/h4-5,8-16,19H,2-3,6-7H2,1H3,(H,29,31).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 53036109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).