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

C19H26N4O3S — CID 53181681

IUPACN-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2)c(C)n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H26N4O3S/c1-14-18(19(24)20-13-16-7-5-4-6-8-16)21-15(2)23(14)17-9-11-22(12-10-17)27(3,25)26/h4-8,17H,9-13H2,1-3H3,(H,20,24)
InChIKeyKIOAWZFPPUKQGN-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.03
Rot. Bonds5

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

N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53181681) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53181681
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2)c(C)n1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H26N4O3S/c1-14-18(19(24)20-13-16-7-5-4-6-8-16)21-15(2)23(14)17-9-11-22(12-10-17)27(3,25)26/h4-8,17H,9-13H2,1-3H3,(H,20,24)
InChIKeyKIOAWZFPPUKQGN-UHFFFAOYSA-N
XLogP2.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide (CID 53181681) is N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide is Cc1nc(C(=O)NCc2ccccc2)c(C)n1C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is KIOAWZFPPUKQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14-18(19(24)20-13-16-7-5-4-6-8-16)21-15(2)23(14)17-9-11-22(12-10-17)27(3,25)26/h4-8,17H,9-13H2,1-3H3,(H,20,24).
What are the key properties of N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53181681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).