N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide

C21H30N4O3 — CID 90906418

IUPACN-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2cccc(OCCNCCO)c2)c1)C1CCCCC1
InChIInChI=1S/C21H30N4O3/c1-24(18-7-3-2-4-8-18)21(27)25-15-20(23-16-25)17-6-5-9-19(14-17)28-13-11-22-10-12-26/h5-6,9,14-16,18,22,26H,2-4,7-8,10-13H2,1H3
InChIKeyZZXRIUWBZHEHEL-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.74
Rot. Bonds8

About N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide

N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide (PubChem CID 90906418) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide
PubChem CID90906418
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2cccc(OCCNCCO)c2)c1)C1CCCCC1
InChIInChI=1S/C21H30N4O3/c1-24(18-7-3-2-4-8-18)21(27)25-15-20(23-16-25)17-6-5-9-19(14-17)28-13-11-22-10-12-26/h5-6,9,14-16,18,22,26H,2-4,7-8,10-13H2,1H3
InChIKeyZZXRIUWBZHEHEL-UHFFFAOYSA-N
XLogP2.74
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide
CID 66682353
N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide
CID 66714003
N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66683135
N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide
CID 123757708
N-cyclohexyl-4-(1-hydroxypyridin-1-ium-4-yl)-N-methylimidazole-1-carboxamide
CID 121366678
N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide
CID 87121267
N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66683058
N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide
CID 66683085
N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride
CID 162311785
4-[4-(benzylamino)-3-nitrophenyl]-N-cyclohexyl-N-methylimidazole-1-carboxamide
CID 66683104
N-(1-benzylpiperidin-4-yl)-4-[3-(hydroxycarbamoyl)phenyl]-N-methylimidazole-1-carboxamide
CID 87105205
N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66682485

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide (CID 90906418) is N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide is CN(C(=O)n1cnc(-c2cccc(OCCNCCO)c2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide?
The InChIKey is ZZXRIUWBZHEHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-24(18-7-3-2-4-8-18)21(27)25-15-20(23-16-25)17-6-5-9-19(14-17)28-13-11-22-10-12-26/h5-6,9,14-16,18,22,26H,2-4,7-8,10-13H2,1H3.
What are the key properties of N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide?
N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 90906418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).