5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide

C24H24FN5O3 — CID 160796157

IUPAC5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCN2CCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN5O3/c25-18-6-4-17(5-7-18)20(31)14-16-2-8-19(9-3-16)29-24(33)22-21(27-15-28-22)23(32)26-10-13-30-11-1-12-30/h2-9,15H,1,10-14H2,(H,26,32)(H,27,28)(H,29,33)
InChIKeySCLWLVOZHQMPGL-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.66
Rot. Bonds9

About 5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide

5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 160796157) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID160796157
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCN2CCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN5O3/c25-18-6-4-17(5-7-18)20(31)14-16-2-8-19(9-3-16)29-24(33)22-21(27-15-28-22)23(32)26-10-13-30-11-1-12-30/h2-9,15H,1,10-14H2,(H,26,32)(H,27,28)(H,29,33)
InChIKeySCLWLVOZHQMPGL-UHFFFAOYSA-N
XLogP2.66
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-[2-(2-chloro-4-fluorophenyl)-2-oxoethyl]phenyl]-5-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-1H-imidazole-4,5-dicarboxamide
CID 159396048
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide
CID 118419689
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-(5-pyrrolidin-1-ylpentyl)-1H-imidazole-4,5-dicarboxamide
CID 123806539
4-N-[4-[2-(2-chloro-4-fluorophenyl)-2-oxoethyl]phenyl]-5-N-(2-fluoroethyl)-1H-imidazole-4,5-dicarboxamide
CID 153025754
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-[2-(3-methylpiperidin-1-yl)ethyl]-1H-imidazole-4,5-dicarboxamide
CID 118419268
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]-3-methylphenyl]-5-N-(2-piperidin-1-ylethyl)-1H-imidazole-4,5-dicarboxamide
CID 118424123
4-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]phenyl]-5-N-[2-(2-methylpiperidin-1-yl)ethyl]-1H-imidazole-4,5-dicarboxamide
CID 159408664
[1-[2-[[4-[[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]ethyl]piperidin-4-yl] hypoiodite
CID 118424156
4-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-imidazole-4,5-dicarboxamide
CID 118419131
5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736415
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 118419725
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]-3-(trifluoromethoxy)phenyl]-5-N-(2-piperidin-1-ylethyl)-1H-imidazole-4,5-dicarboxamide
CID 118419458

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide (CID 160796157) is 5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide is O=C(Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCN2CCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of 5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is SCLWLVOZHQMPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c25-18-6-4-17(5-7-18)20(31)14-16-2-8-19(9-3-16)29-24(33)22-21(27-15-28-22)23(32)26-10-13-30-11-1-12-30/h2-9,15H,1,10-14H2,(H,26,32)(H,27,28)(H,29,33).
What are the key properties of 5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide?
5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 160796157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).