N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide

C22H25FN4O2 — CID 53187571

IUPACN-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)C1CCCCC1
InChIInChI=1S/C22H25FN4O2/c23-18-8-6-16(7-9-18)15-26-12-13-27(22(26)29)20-11-10-19(14-24-20)25-21(28)17-4-2-1-3-5-17/h6-11,14,17H,1-5,12-13,15H2,(H,25,28)
InChIKeyOHNDKUSBSYGXDV-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.18
Rot. Bonds5

About N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 53187571) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID53187571
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)C1CCCCC1
InChIInChI=1S/C22H25FN4O2/c23-18-8-6-16(7-9-18)15-26-12-13-27(22(26)29)20-11-10-19(14-24-20)25-21(28)17-4-2-1-3-5-17/h6-11,14,17H,1-5,12-13,15H2,(H,25,28)
InChIKeyOHNDKUSBSYGXDV-UHFFFAOYSA-N
XLogP4.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 53187571) is N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)C1CCCCC1.
What is the InChIKey of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is OHNDKUSBSYGXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-18-8-6-16(7-9-18)15-26-12-13-27(22(26)29)20-11-10-19(14-24-20)25-21(28)17-4-2-1-3-5-17/h6-11,14,17H,1-5,12-13,15H2,(H,25,28).
What are the key properties of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 53187571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).