2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

C17H24N4OS — CID 53181538

IUPAC2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccs2)c(C)n1C1CCN(C)CC1
InChIInChI=1S/C17H24N4OS/c1-12-16(17(22)18-11-15-5-4-10-23-15)19-13(2)21(12)14-6-8-20(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyXEGJVBJGCSFILH-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.76
Rot. Bonds4

About 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (PubChem CID 53181538) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
PubChem CID53181538
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccs2)c(C)n1C1CCN(C)CC1
InChIInChI=1S/C17H24N4OS/c1-12-16(17(22)18-11-15-5-4-10-23-15)19-13(2)21(12)14-6-8-20(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyXEGJVBJGCSFILH-UHFFFAOYSA-N
XLogP2.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (CID 53181538) is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is Cc1nc(C(=O)NCc2cccs2)c(C)n1C1CCN(C)CC1.
What is the InChIKey of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The InChIKey is XEGJVBJGCSFILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12-16(17(22)18-11-15-5-4-10-23-15)19-13(2)21(12)14-6-8-20(3)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3,(H,18,22).
What are the key properties of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 53181538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).