1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide

C20H21ClN4OS — CID 163932545

IUPAC1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1ccsc1-c1nc(C(=O)NN2CCCCC2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4OS/c1-14-9-12-27-18(14)19-22-17(20(26)23-24-10-3-2-4-11-24)13-25(19)16-7-5-15(21)6-8-16/h5-9,12-13H,2-4,10-11H2,1H3,(H,23,26)
InChIKeyRJXKXGKUCJNLPW-UHFFFAOYSA-N
MW400.94 g/mol
LogP4.69
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide

1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 163932545) has the molecular formula C20H21ClN4OS and a molecular weight of 400.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID163932545
Molecular FormulaC20H21ClN4OS
Molecular Weight400.94 g/mol
Exact Mass400.11
IUPAC Name1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1ccsc1-c1nc(C(=O)NN2CCCCC2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4OS/c1-14-9-12-27-18(14)19-22-17(20(26)23-24-10-3-2-4-11-24)13-25(19)16-7-5-15(21)6-8-16/h5-9,12-13H,2-4,10-11H2,1H3,(H,23,26)
InChIKeyRJXKXGKUCJNLPW-UHFFFAOYSA-N
XLogP4.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.94
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide (CID 163932545) is 1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide is Cc1ccsc1-c1nc(C(=O)NN2CCCCC2)cn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is RJXKXGKUCJNLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4OS/c1-14-9-12-27-18(14)19-22-17(20(26)23-24-10-3-2-4-11-24)13-25(19)16-7-5-15(21)6-8-16/h5-9,12-13H,2-4,10-11H2,1H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 400.94 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 163932545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).