N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide

C18H18ClFN4O2 — CID 25096712

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCc3ccc(F)cc3Cl)N(C)C2=O)n1
InChIInChI=1S/C18H18ClFN4O2/c1-11-4-3-5-16(22-11)24-10-15(23(2)18(24)26)17(25)21-9-12-6-7-13(20)8-14(12)19/h3-8,15H,9-10H2,1-2H3,(H,21,25)
InChIKeyAIKVXPCPWANTNG-UHFFFAOYSA-N
MW376.82 g/mol
LogP2.74
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 25096712) has the molecular formula C18H18ClFN4O2 and a molecular weight of 376.82 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID25096712
Molecular FormulaC18H18ClFN4O2
Molecular Weight376.82 g/mol
Exact Mass376.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCc3ccc(F)cc3Cl)N(C)C2=O)n1
InChIInChI=1S/C18H18ClFN4O2/c1-11-4-3-5-16(22-11)24-10-15(23(2)18(24)26)17(25)21-9-12-6-7-13(20)8-14(12)19/h3-8,15H,9-10H2,1-2H3,(H,21,25)
InChIKeyAIKVXPCPWANTNG-UHFFFAOYSA-N
XLogP2.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71459840
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71463306
N-[(2,4-dichlorophenyl)methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25094619
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 71461570
N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
CID 25094350
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25094618
N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 25095700
(4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71463313
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide
CID 71461565
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylthiazinane-3-carboxamide
CID 91240604
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 20968164
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide (CID 25096712) is N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide is Cc1cccc(N2CC(C(=O)NCc3ccc(F)cc3Cl)N(C)C2=O)n1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is AIKVXPCPWANTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O2/c1-11-4-3-5-16(22-11)24-10-15(23(2)18(24)26)17(25)21-9-12-6-7-13(20)8-14(12)19/h3-8,15H,9-10H2,1-2H3,(H,21,25).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 376.82 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 25096712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).