5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide

C29H37N5O2 — CID 24826863

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3CCC(N4CCOCC4)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C29H37N5O2/c1-29(2)11-9-21(10-12-29)25-17-22(20-3-6-24(7-4-20)34-13-15-36-16-14-34)5-8-26(25)33-28(35)27-31-19-23(18-30)32-27/h5,8-9,17,19-20,24H,3-4,6-7,10-16H2,1-2H3,(H,31,32)(H,33,35)
InChIKeyGONTVSWJFFNARH-UHFFFAOYSA-N
MW487.65 g/mol
LogP5.49
Rot. Bonds5

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24826863) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24826863
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3CCC(N4CCOCC4)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C29H37N5O2/c1-29(2)11-9-21(10-12-29)25-17-22(20-3-6-24(7-4-20)34-13-15-36-16-14-34)5-8-26(25)33-28(35)27-31-19-23(18-30)32-27/h5,8-9,17,19-20,24H,3-4,6-7,10-16H2,1-2H3,(H,31,32)(H,33,35)
InChIKeyGONTVSWJFFNARH-UHFFFAOYSA-N
XLogP5.49
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide (CID 24826863) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(C3CCC(N4CCOCC4)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is GONTVSWJFFNARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-29(2)11-9-21(10-12-29)25-17-22(20-3-6-24(7-4-20)34-13-15-36-16-14-34)5-8-26(25)33-28(35)27-31-19-23(18-30)32-27/h5,8-9,17,19-20,24H,3-4,6-7,10-16H2,1-2H3,(H,31,32)(H,33,35).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24826863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).