3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide

C23H25FN4O2 — CID 42887024

IUPAC3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cncn1-c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C23H25FN4O2/c1-30-22-7-3-2-6-19(22)20(27-12-4-5-13-27)15-26-23(29)21-14-25-16-28(21)18-10-8-17(24)9-11-18/h2-3,6-11,14,16,20H,4-5,12-13,15H2,1H3,(H,26,29)
InChIKeyIBXSJIBJRPLSOS-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.59
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide

3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide (PubChem CID 42887024) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
PubChem CID42887024
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cncn1-c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C23H25FN4O2/c1-30-22-7-3-2-6-19(22)20(27-12-4-5-13-27)15-26-23(29)21-14-25-16-28(21)18-10-8-17(24)9-11-18/h2-3,6-11,14,16,20H,4-5,12-13,15H2,1H3,(H,26,29)
InChIKeyIBXSJIBJRPLSOS-UHFFFAOYSA-N
XLogP3.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
CID 17477971
1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30523169
5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 51966505
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
5-fluoro-2-hydroxy-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 95787960
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
2-bromo-4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 24686009
3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 43019758
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 51109530
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167854067

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide (CID 42887024) is 3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide is COc1ccccc1C(CNC(=O)c1cncn1-c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide?
The InChIKey is IBXSJIBJRPLSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-30-22-7-3-2-6-19(22)20(27-12-4-5-13-27)15-26-23(29)21-14-25-16-28(21)18-10-8-17(24)9-11-18/h2-3,6-11,14,16,20H,4-5,12-13,15H2,1H3,(H,26,29).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide is sourced from PubChem (CID 42887024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).