N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide

C22H23FN4O — CID 74247052

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCCC1)c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C22H23FN4O/c23-17-9-7-16(8-10-17)20(27-13-3-4-14-27)15-26-22(28)19-6-2-1-5-18(19)21-24-11-12-25-21/h1-2,5-12,20H,3-4,13-15H2,(H,24,25)(H,26,28)
InChIKeyFBUVDEWIEMQYBZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide (PubChem CID 74247052) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide
PubChem CID74247052
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCCC1)c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C22H23FN4O/c23-17-9-7-16(8-10-17)20(27-13-3-4-14-27)15-26-22(28)19-6-2-1-5-18(19)21-24-11-12-25-21/h1-2,5-12,20H,3-4,13-15H2,(H,24,25)(H,26,28)
InChIKeyFBUVDEWIEMQYBZ-UHFFFAOYSA-N
XLogP3.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide 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 N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide (CID 74247052) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide is O=C(NCC(c1ccc(F)cc1)N1CCCC1)c1ccccc1-c1ncc[nH]1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide?
The InChIKey is FBUVDEWIEMQYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-17-9-7-16(8-10-17)20(27-13-3-4-14-27)15-26-22(28)19-6-2-1-5-18(19)21-24-11-12-25-21/h1-2,5-12,20H,3-4,13-15H2,(H,24,25)(H,26,28).
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide has a molecular weight of 378.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 74247052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).