5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C23H29N5O2 — CID 89298027

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCON1CCC(c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C23H29N5O2/c1-30-28-11-9-16(10-12-28)18-7-8-21(20(13-18)17-5-3-2-4-6-17)27-23(29)22-25-15-19(14-24)26-22/h5,7-8,13,16,19H,2-4,6,9-12,15H2,1H3,(H,25,26)(H,27,29)
InChIKeyOHSIALKMFDCVDS-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.22
Rot. Bonds5

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 89298027) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID89298027
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCON1CCC(c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C23H29N5O2/c1-30-28-11-9-16(10-12-28)18-7-8-21(20(13-18)17-5-3-2-4-6-17)27-23(29)22-25-15-19(14-24)26-22/h5,7-8,13,16,19H,2-4,6,9-12,15H2,1H3,(H,25,26)(H,27,29)
InChIKeyOHSIALKMFDCVDS-UHFFFAOYSA-N
XLogP3.22
TPSA89.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 89298027) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide is CON1CCC(c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCCCC3)c2)CC1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is OHSIALKMFDCVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-30-28-11-9-16(10-12-28)18-7-8-21(20(13-18)17-5-3-2-4-6-17)27-23(29)22-25-15-19(14-24)26-22/h5,7-8,13,16,19H,2-4,6,9-12,15H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 89298027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).