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

C28H36N6O2 — CID 11634544

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C28H36N6O2/c29-19-24-20-30-27(31-24)28(35)32-26-7-6-23(18-25(26)22-4-2-1-3-5-22)21-8-10-33(11-9-21)12-13-34-14-16-36-17-15-34/h4,6-7,18,20-21H,1-3,5,8-17H2,(H,30,31)(H,32,35)
InChIKeyMVPRWLBKNHWFPM-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.00
Rot. Bonds7

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

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 11634544) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID11634544
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C28H36N6O2/c29-19-24-20-30-27(31-24)28(35)32-26-7-6-23(18-25(26)22-4-2-1-3-5-22)21-8-10-33(11-9-21)12-13-34-14-16-36-17-15-34/h4,6-7,18,20-21H,1-3,5,8-17H2,(H,30,31)(H,32,35)
InChIKeyMVPRWLBKNHWFPM-UHFFFAOYSA-N
XLogP4.00
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (CID 11634544) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is MVPRWLBKNHWFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c29-19-24-20-30-27(31-24)28(35)32-26-7-6-23(18-25(26)22-4-2-1-3-5-22)21-8-10-33(11-9-21)12-13-34-14-16-36-17-15-34/h4,6-7,18,20-21H,1-3,5,8-17H2,(H,30,31)(H,32,35).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 4.00, 7 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-(2-morpholin-4-ylethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11634544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).