5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide

C22H25N5O — CID 11696478

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C22H25N5O/c23-13-18-14-25-21(26-18)22(28)27-20-7-6-17(15-8-10-24-11-9-15)12-19(20)16-4-2-1-3-5-16/h4,6-7,12,14-15,24H,1-3,5,8-11H2,(H,25,26)(H,27,28)
InChIKeyXPCQXAQALLRVJQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.96
Rot. Bonds4

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide (PubChem CID 11696478) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
PubChem CID11696478
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C22H25N5O/c23-13-18-14-25-21(26-18)22(28)27-20-7-6-17(15-8-10-24-11-9-15)12-19(20)16-4-2-1-3-5-16/h4,6-7,12,14-15,24H,1-3,5,8-11H2,(H,25,26)(H,27,28)
InChIKeyXPCQXAQALLRVJQ-UHFFFAOYSA-N
XLogP3.96
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide (CID 11696478) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
The InChIKey is XPCQXAQALLRVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c23-13-18-14-25-21(26-18)22(28)27-20-7-6-17(15-8-10-24-11-9-15)12-19(20)16-4-2-1-3-5-16/h4,6-7,12,14-15,24H,1-3,5,8-11H2,(H,25,26)(H,27,28).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11696478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).