N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide

C19H25FN4O3S — CID 53181685

IUPACN-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(F)cc2)c(C)n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H25FN4O3S/c1-13-18(19(25)21-12-15-4-6-16(20)7-5-15)22-14(2)24(13)17-8-10-23(11-9-17)28(3,26)27/h4-7,17H,8-12H2,1-3H3,(H,21,25)
InChIKeySLANOEGWKIPXKF-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.17
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53181685) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53181685
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(F)cc2)c(C)n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H25FN4O3S/c1-13-18(19(25)21-12-15-4-6-16(20)7-5-15)22-14(2)24(13)17-8-10-23(11-9-17)28(3,26)27/h4-7,17H,8-12H2,1-3H3,(H,21,25)
InChIKeySLANOEGWKIPXKF-UHFFFAOYSA-N
XLogP2.17
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide (CID 53181685) is N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide is Cc1nc(C(=O)NCc2ccc(F)cc2)c(C)n1C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is SLANOEGWKIPXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c1-13-18(19(25)21-12-15-4-6-16(20)7-5-15)22-14(2)24(13)17-8-10-23(11-9-17)28(3,26)27/h4-7,17H,8-12H2,1-3H3,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53181685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).