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

C22H24N4O2S — CID 24874641

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3(O)CCSCC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C22H24N4O2S/c23-13-17-14-24-20(25-17)21(27)26-19-7-6-16(22(28)8-10-29-11-9-22)12-18(19)15-4-2-1-3-5-15/h4,6-7,12,14,28H,1-3,5,8-11H2,(H,24,25)(H,26,27)
InChIKeyHRUIEUFGGVNPLR-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.21
Rot. Bonds4

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

5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24874641) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24874641
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3(O)CCSCC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C22H24N4O2S/c23-13-17-14-24-20(25-17)21(27)26-19-7-6-16(22(28)8-10-29-11-9-22)12-18(19)15-4-2-1-3-5-15/h4,6-7,12,14,28H,1-3,5,8-11H2,(H,24,25)(H,26,27)
InChIKeyHRUIEUFGGVNPLR-UHFFFAOYSA-N
XLogP4.21
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-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-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide (CID 24874641) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3(O)CCSCC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is HRUIEUFGGVNPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c23-13-17-14-24-20(25-17)21(27)26-19-7-6-16(22(28)8-10-29-11-9-22)12-18(19)15-4-2-1-3-5-15/h4,6-7,12,14,28H,1-3,5,8-11H2,(H,24,25)(H,26,27).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24874641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).