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

C28H35N5O3 — CID 24874600

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3(N4CCOCC4)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C28H35N5O3/c1-27(2)7-5-20(6-8-27)23-17-21(28(9-13-35-14-10-28)33-11-15-36-16-12-33)3-4-24(23)32-26(34)25-30-19-22(18-29)31-25/h3-5,17,19H,6-16H2,1-2H3,(H,30,31)(H,32,34)
InChIKeyQAMGLFYUGRBNEJ-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.47
Rot. Bonds5

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

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24874600) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24874600
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3(N4CCOCC4)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C28H35N5O3/c1-27(2)7-5-20(6-8-27)23-17-21(28(9-13-35-14-10-28)33-11-15-36-16-12-33)3-4-24(23)32-26(34)25-30-19-22(18-29)31-25/h3-5,17,19H,6-16H2,1-2H3,(H,30,31)(H,32,34)
InChIKeyQAMGLFYUGRBNEJ-UHFFFAOYSA-N
XLogP4.47
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide (CID 24874600) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(C3(N4CCOCC4)CCOCC3)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-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is QAMGLFYUGRBNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-27(2)7-5-20(6-8-27)23-17-21(28(9-13-35-14-10-28)33-11-15-36-16-12-33)3-4-24(23)32-26(34)25-30-19-22(18-29)31-25/h3-5,17,19H,6-16H2,1-2H3,(H,30,31)(H,32,34).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24874600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).