3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide

C15H17FN4O — CID 119550677

IUPAC3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cncn1-c1ccc(F)cc1)C1CCNC1
InChIInChI=1S/C15H17FN4O/c1-19(13-6-7-17-8-13)15(21)14-9-18-10-20(14)12-4-2-11(16)3-5-12/h2-5,9-10,13,17H,6-8H2,1H3
InChIKeyNHTLISCPHMWJQU-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.45
Rot. Bonds3

About 3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide

3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide (PubChem CID 119550677) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
PubChem CID119550677
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cncn1-c1ccc(F)cc1)C1CCNC1
InChIInChI=1S/C15H17FN4O/c1-19(13-6-7-17-8-13)15(21)14-9-18-10-20(14)12-4-2-11(16)3-5-12/h2-5,9-10,13,17H,6-8H2,1H3
InChIKeyNHTLISCPHMWJQU-UHFFFAOYSA-N
XLogP1.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119553915
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-cyclohexyl-N-methylimidazole-4-carboxamide
CID 46102053
5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 119554451
3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride
CID 120943165
N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
CID 24515107
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 104786200
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569
2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613896
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide (CID 119550677) is 3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide is CN(C(=O)c1cncn1-c1ccc(F)cc1)C1CCNC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide?
The InChIKey is NHTLISCPHMWJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-19(13-6-7-17-8-13)15(21)14-9-18-10-20(14)12-4-2-11(16)3-5-12/h2-5,9-10,13,17H,6-8H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide?
3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 119550677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).