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

C21H30N4O4S — CID 53181689

IUPACN-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1nc(C)n(C2CCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C21H30N4O4S/c1-5-29-19-9-7-6-8-17(19)14-22-21(26)20-15(2)25(16(3)23-20)18-10-12-24(13-11-18)30(4,27)28/h6-9,18H,5,10-14H2,1-4H3,(H,22,26)
InChIKeyRBBWHYAYRILRLT-UHFFFAOYSA-N
MW434.56 g/mol
LogP2.43
Rot. Bonds7

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

N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53181689) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53181689
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1nc(C)n(C2CCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C21H30N4O4S/c1-5-29-19-9-7-6-8-17(19)14-22-21(26)20-15(2)25(16(3)23-20)18-10-12-24(13-11-18)30(4,27)28/h6-9,18H,5,10-14H2,1-4H3,(H,22,26)
InChIKeyRBBWHYAYRILRLT-UHFFFAOYSA-N
XLogP2.43
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide (CID 53181689) is N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide is CCOc1ccccc1CNC(=O)c1nc(C)n(C2CCN(S(C)(=O)=O)CC2)c1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is RBBWHYAYRILRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-5-29-19-9-7-6-8-17(19)14-22-21(26)20-15(2)25(16(3)23-20)18-10-12-24(13-11-18)30(4,27)28/h6-9,18H,5,10-14H2,1-4H3,(H,22,26).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53181689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).