N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide

C12H20N4O — CID 113283771

IUPACN-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide
SMILESNCC(NC(=O)c1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C12H20N4O/c13-6-10(9-4-2-1-3-5-9)16-12(17)11-7-14-8-15-11/h7-10H,1-6,13H2,(H,14,15)(H,16,17)
InChIKeyNIRKMEZABOHFJN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.05
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide

N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide (PubChem CID 113283771) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide
PubChem CID113283771
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide
SMILESNCC(NC(=O)c1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C12H20N4O/c13-6-10(9-4-2-1-3-5-9)16-12(17)11-7-14-8-15-11/h7-10H,1-6,13H2,(H,14,15)(H,16,17)
InChIKeyNIRKMEZABOHFJN-UHFFFAOYSA-N
XLogP1.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 106737632
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
N-(2-amino-1-cyclohexylethyl)-5-phenylpyridine-3-carboxamide
CID 119590618
N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
CID 81425114
N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
CID 106737450
N-(2-amino-1-cyclopropylethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 65188854
N-(2-amino-1-cyclopropylethyl)-1H-pyrrole-2-carboxamide
CID 65188382
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide (CID 113283771) is N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide is NCC(NC(=O)c1cnc[nH]1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide?
The InChIKey is NIRKMEZABOHFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-6-10(9-4-2-1-3-5-9)16-12(17)11-7-14-8-15-11/h7-10H,1-6,13H2,(H,14,15)(H,16,17).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide?
N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 113283771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).