5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride

C25H34ClN5O2 — CID 84972985

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride
SMILESCOCCNC(C)(C)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cl
InChIInChI=1S/C25H33N5O2.ClH/c1-24(2)10-8-17(9-11-24)20-14-18(25(3,4)28-12-13-32-5)6-7-21(20)30-23(31)22-27-16-19(15-26)29-22;/h6-8,14,16,28H,9-13H2,1-5H3,(H,27,29)(H,30,31);1H
InChIKeyRCBHUQYCSNOYFM-UHFFFAOYSA-N
MW472.03 g/mol
LogP5.02
Rot. Bonds8

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride (PubChem CID 84972985) has the molecular formula C25H34ClN5O2 and a molecular weight of 472.03 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride
PubChem CID84972985
Molecular FormulaC25H34ClN5O2
Molecular Weight472.03 g/mol
Exact Mass471.24
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride
SMILESCOCCNC(C)(C)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cl
InChIInChI=1S/C25H33N5O2.ClH/c1-24(2)10-8-17(9-11-24)20-14-18(25(3,4)28-12-13-32-5)6-7-21(20)30-23(31)22-27-16-19(15-26)29-22;/h6-8,14,16,28H,9-13H2,1-5H3,(H,27,29)(H,30,31);1H
InChIKeyRCBHUQYCSNOYFM-UHFFFAOYSA-N
XLogP5.02
TPSA102.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.03
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride 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-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride (CID 84972985) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride is COCCNC(C)(C)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cl.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride?
The InChIKey is RCBHUQYCSNOYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2.ClH/c1-24(2)10-8-17(9-11-24)20-14-18(25(3,4)28-12-13-32-5)6-7-21(20)30-23(31)22-27-16-19(15-26)29-22;/h6-8,14,16,28H,9-13H2,1-5H3,(H,27,29)(H,30,31);1H.
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride has a molecular weight of 472.03 g/mol, XLogP of 5.02, 8 rotatable bonds, 3 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-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 84972985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).