2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine

C20H21FN4 — CID 121302715

IUPAC2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine
SMILESFc1ccc([C@H]2CCCN2CCn2cnc(-c3ccccn3)c2)cc1
InChIInChI=1S/C20H21FN4/c21-17-8-6-16(7-9-17)20-5-3-11-25(20)13-12-24-14-19(23-15-24)18-4-1-2-10-22-18/h1-2,4,6-10,14-15,20H,3,5,11-13H2/t20-/m1/s1
InChIKeyRWNVVNXYLSTHDQ-HXUWFJFHSA-N
MW336.41 g/mol
LogP3.92
Rot. Bonds5

About 2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine

2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine (PubChem CID 121302715) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine
PubChem CID121302715
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine
SMILESFc1ccc([C@H]2CCCN2CCn2cnc(-c3ccccn3)c2)cc1
InChIInChI=1S/C20H21FN4/c21-17-8-6-16(7-9-17)20-5-3-11-25(20)13-12-24-14-19(23-15-24)18-4-1-2-10-22-18/h1-2,4,6-10,14-15,20H,3,5,11-13H2/t20-/m1/s1
InChIKeyRWNVVNXYLSTHDQ-HXUWFJFHSA-N
XLogP3.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine?
The IUPAC name of 2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine (CID 121302715) is 2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine?
The canonical SMILES for 2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine is Fc1ccc([C@H]2CCCN2CCn2cnc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine?
The InChIKey is RWNVVNXYLSTHDQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21FN4/c21-17-8-6-16(7-9-17)20-5-3-11-25(20)13-12-24-14-19(23-15-24)18-4-1-2-10-22-18/h1-2,4,6-10,14-15,20H,3,5,11-13H2/t20-/m1/s1.
What are the key properties of 2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine?
2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine has a molecular weight of 336.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine is sourced from PubChem (CID 121302715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).