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

C22H25N5O4S — CID 24874972

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(CS(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C22H25N5O4S/c23-13-18-14-24-21(25-18)22(28)26-20-7-6-16(12-19(20)17-4-2-1-3-5-17)15-32(29,30)27-8-10-31-11-9-27/h4,6-7,12,14H,1-3,5,8-11,15H2,(H,24,25)(H,26,28)
InChIKeyOAHQBHZVIMWXNT-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.65
Rot. Bonds6

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

5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24874972) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24874972
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(CS(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C22H25N5O4S/c23-13-18-14-24-21(25-18)22(28)26-20-7-6-16(12-19(20)17-4-2-1-3-5-17)15-32(29,30)27-8-10-31-11-9-27/h4,6-7,12,14H,1-3,5,8-11,15H2,(H,24,25)(H,26,28)
InChIKeyOAHQBHZVIMWXNT-UHFFFAOYSA-N
XLogP2.65
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 11696478
CID 11696478
CID 44551653
CID 44551653
CID 11555179
CID 11555179
CID 11576269
CID 11576269
CID 11592380
CID 11592380
CID 11664409
CID 11664409
CID 11676971
CID 11676971
CID 24783102
CID 24783102
CID 24783104
CID 24783104
CID 24783356
CID 24783356
CID 24783357
CID 24783357
CID 24785380
CID 24785380

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide (CID 24874972) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(CS(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is OAHQBHZVIMWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c23-13-18-14-24-21(25-18)22(28)26-20-7-6-16(12-19(20)17-4-2-1-3-5-17)15-32(29,30)27-8-10-31-11-9-27/h4,6-7,12,14H,1-3,5,8-11,15H2,(H,24,25)(H,26,28).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 2.65, 6 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-(morpholin-4-ylsulfonylmethyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24874972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).