3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide

C23H25FN4O2 — CID 56552112

IUPAC3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-19-5-7-20(8-6-19)28-16-25-14-22(28)23(30)26-13-17-1-3-18(4-2-17)15-27-11-9-21(29)10-12-27/h1-8,14,16,21,29H,9-13,15H2,(H,26,30)
InChIKeyGGJBJGMOITUVEY-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.90
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide

3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide (PubChem CID 56552112) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide
PubChem CID56552112
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-19-5-7-20(8-6-19)28-16-25-14-22(28)23(30)26-13-17-1-3-18(4-2-17)15-27-11-9-21(29)10-12-27/h1-8,14,16,21,29H,9-13,15H2,(H,26,30)
InChIKeyGGJBJGMOITUVEY-UHFFFAOYSA-N
XLogP2.90
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 47007581
5-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]thiophene-2-carboxamide
CID 56552143
2-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56551918
3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride
CID 120943165
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 126793113
4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56551902
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 51931352
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(4-chlorophenyl)methyl]imidazole-4-carboxamide
CID 46103141
4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552141
4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 56551808
3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide
CID 99816563

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide (CID 56552112) is 3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide is O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is GGJBJGMOITUVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-5-7-20(8-6-19)28-16-25-14-22(28)23(30)26-13-17-1-3-18(4-2-17)15-27-11-9-21(29)10-12-27/h1-8,14,16,21,29H,9-13,15H2,(H,26,30).
What are the key properties of 3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 56552112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).