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

C27H29N7O2 — CID 11606814

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)Cc4cnc[nH]4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C27H29N7O2/c28-14-22-16-30-26(32-22)27(36)33-24-7-6-20(12-23(24)19-4-2-1-3-5-19)18-8-10-34(11-9-18)25(35)13-21-15-29-17-31-21/h4,6-7,12,15-18H,1-3,5,8-11,13H2,(H,29,31)(H,30,32)(H,33,36)
InChIKeyZDZWIYNKACEWQC-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.16
Rot. Bonds6

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

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 11606814) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID11606814
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)Cc4cnc[nH]4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C27H29N7O2/c28-14-22-16-30-26(32-22)27(36)33-24-7-6-20(12-23(24)19-4-2-1-3-5-19)18-8-10-34(11-9-18)25(35)13-21-15-29-17-31-21/h4,6-7,12,15-18H,1-3,5,8-11,13H2,(H,29,31)(H,30,32)(H,33,36)
InChIKeyZDZWIYNKACEWQC-UHFFFAOYSA-N
XLogP4.16
TPSA130.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (CID 11606814) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)Cc4cnc[nH]4)CC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is ZDZWIYNKACEWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c28-14-22-16-30-26(32-22)27(36)33-24-7-6-20(12-23(24)19-4-2-1-3-5-19)18-8-10-34(11-9-18)25(35)13-21-15-29-17-31-21/h4,6-7,12,15-18H,1-3,5,8-11,13H2,(H,29,31)(H,30,32)(H,33,36).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 4.16, 6 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-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11606814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).