4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one

C27H28N6O — CID 91420628

IUPAC4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one
SMILESC=C1CCCC1c1ncc(-c2ccn(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)c(=O)c2)[nH]1
InChIInChI=1S/C27H28N6O/c1-17-4-2-5-21(17)26-29-16-24(31-26)19-11-13-33(25(34)14-19)20-9-7-18(8-10-20)23-15-30-27(32-23)22-6-3-12-28-22/h7-11,13-16,21-22,28H,1-6,12H2,(H,29,31)(H,30,32)
InChIKeyPAVQMEFPHQZUHA-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.87
Rot. Bonds5

About 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one

4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one (PubChem CID 91420628) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one
PubChem CID91420628
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one
SMILESC=C1CCCC1c1ncc(-c2ccn(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)c(=O)c2)[nH]1
InChIInChI=1S/C27H28N6O/c1-17-4-2-5-21(17)26-29-16-24(31-26)19-11-13-33(25(34)14-19)20-9-7-18(8-10-20)23-15-30-27(32-23)22-6-3-12-28-22/h7-11,13-16,21-22,28H,1-6,12H2,(H,29,31)(H,30,32)
InChIKeyPAVQMEFPHQZUHA-UHFFFAOYSA-N
XLogP4.87
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one 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 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one?
The IUPAC name of 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one (CID 91420628) is 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one?
The canonical SMILES for 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one is C=C1CCCC1c1ncc(-c2ccn(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)c(=O)c2)[nH]1.
What is the InChIKey of 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one?
The InChIKey is PAVQMEFPHQZUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-17-4-2-5-21(17)26-29-16-24(31-26)19-11-13-33(25(34)14-19)20-9-7-18(8-10-20)23-15-30-27(32-23)22-6-3-12-28-22/h7-11,13-16,21-22,28H,1-6,12H2,(H,29,31)(H,30,32).
What are the key properties of 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one?
4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one has a molecular weight of 452.56 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylidenecyclopentyl)-1H-imidazol-5-yl]-1-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyridin-2-one is sourced from PubChem (CID 91420628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).