1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide

C23H25FN4O — CID 45225547

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1ccnc1CN1CCCC1C(=O)Nc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C23H25FN4O/c1-2-27-14-12-25-22(27)16-28-13-4-7-21(28)23(29)26-20-10-8-17(9-11-20)18-5-3-6-19(24)15-18/h3,5-6,8-12,14-15,21H,2,4,7,13,16H2,1H3,(H,26,29)
InChIKeyNKFWYCIFRNYKAL-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.31
Rot. Bonds6

About 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide

1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45225547) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45225547
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1ccnc1CN1CCCC1C(=O)Nc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C23H25FN4O/c1-2-27-14-12-25-22(27)16-28-13-4-7-21(28)23(29)26-20-10-8-17(9-11-20)18-5-3-6-19(24)15-18/h3,5-6,8-12,14-15,21H,2,4,7,13,16H2,1H3,(H,26,29)
InChIKeyNKFWYCIFRNYKAL-UHFFFAOYSA-N
XLogP4.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide (CID 45225547) is 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide is CCn1ccnc1CN1CCCC1C(=O)Nc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is NKFWYCIFRNYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-2-27-14-12-25-22(27)16-28-13-4-7-21(28)23(29)26-20-10-8-17(9-11-20)18-5-3-6-19(24)15-18/h3,5-6,8-12,14-15,21H,2,4,7,13,16H2,1H3,(H,26,29).
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45225547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).