5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide

C25H29FN4O2 — CID 53036111

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H29FN4O2/c26-19-9-7-18(8-10-19)23-24(30(17-28-23)20-5-1-2-6-20)21-11-12-22(32-21)25(31)27-13-16-29-14-3-4-15-29/h7-12,17,20H,1-6,13-16H2,(H,27,31)
InChIKeyNTNVRNJNFYWBPP-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.89
Rot. Bonds7

About 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide (PubChem CID 53036111) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
PubChem CID53036111
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H29FN4O2/c26-19-9-7-18(8-10-19)23-24(30(17-28-23)20-5-1-2-6-20)21-11-12-22(32-21)25(31)27-13-16-29-14-3-4-15-29/h7-12,17,20H,1-6,13-16H2,(H,27,31)
InChIKeyNTNVRNJNFYWBPP-UHFFFAOYSA-N
XLogP4.89
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide (CID 53036111) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide is O=C(NCCN1CCCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is NTNVRNJNFYWBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c26-19-9-7-18(8-10-19)23-24(30(17-28-23)20-5-1-2-6-20)21-11-12-22(32-21)25(31)27-13-16-29-14-3-4-15-29/h7-12,17,20H,1-6,13-16H2,(H,27,31).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.89, 7 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-pyrrolidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 53036111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).