5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide

C29H35N5O2 — CID 24874819

IUPAC5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3(C#N)CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C29H35N5O2/c1-26(2)11-9-19(10-12-26)22-13-20(29(18-31)16-27(3,4)36-28(5,6)17-29)7-8-23(22)34-25(35)24-32-15-21(14-30)33-24/h7-9,13,15H,10-12,16-17H2,1-6H3,(H,32,33)(H,34,35)
InChIKeyMVUBEWNGJOMBLQ-UHFFFAOYSA-N
MW485.63 g/mol
LogP6.26
Rot. Bonds4

About 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24874819) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24874819
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3(C#N)CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C29H35N5O2/c1-26(2)11-9-19(10-12-26)22-13-20(29(18-31)16-27(3,4)36-28(5,6)17-29)7-8-23(22)34-25(35)24-32-15-21(14-30)33-24/h7-9,13,15H,10-12,16-17H2,1-6H3,(H,32,33)(H,34,35)
InChIKeyMVUBEWNGJOMBLQ-UHFFFAOYSA-N
XLogP6.26
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
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5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
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5-cyano-N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
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4-cyano-N-(2-cyclohexenyl-4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)phenyl)-1H-imidazole-2-carboxamide
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4-cyano-N-(4-(2-(cyanoimino)-1,3-dimethylhexahydropyrimidin-5-yl)-2-(4,4-dimethylcyclohex-1-enyl)phenyl)-1H-imidazole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide (CID 24874819) is 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(C3(C#N)CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is MVUBEWNGJOMBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-26(2)11-9-19(10-12-26)22-13-20(29(18-31)16-27(3,4)36-28(5,6)17-29)7-8-23(22)34-25(35)24-32-15-21(14-30)33-24/h7-9,13,15H,10-12,16-17H2,1-6H3,(H,32,33)(H,34,35).
What are the key properties of 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-(4-cyano-2,2,6,6-tetramethyloxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24874819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).