N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide

C18H23FN4O3S — CID 53181672

IUPACN-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(F)c2)c(C)n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H23FN4O3S/c1-12-17(18(24)21-15-6-4-5-14(19)11-15)20-13(2)23(12)16-7-9-22(10-8-16)27(3,25)26/h4-6,11,16H,7-10H2,1-3H3,(H,21,24)
InChIKeyCJARWCVAVKUUMD-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.49
Rot. Bonds4

About N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide

N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53181672) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53181672
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC NameN-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(F)c2)c(C)n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H23FN4O3S/c1-12-17(18(24)21-15-6-4-5-14(19)11-15)20-13(2)23(12)16-7-9-22(10-8-16)27(3,25)26/h4-6,11,16H,7-10H2,1-3H3,(H,21,24)
InChIKeyCJARWCVAVKUUMD-UHFFFAOYSA-N
XLogP2.49
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
(1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 70764353
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
CID 97448077
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 1469458
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068868
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53075975
N-(3-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110862667

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide (CID 53181672) is N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide is Cc1nc(C(=O)Nc2cccc(F)c2)c(C)n1C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is CJARWCVAVKUUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-12-17(18(24)21-15-6-4-5-14(19)11-15)20-13(2)23(12)16-7-9-22(10-8-16)27(3,25)26/h4-6,11,16H,7-10H2,1-3H3,(H,21,24).
What are the key properties of N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53181672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).