N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride

C16H22Cl2N4O — CID 119478845

IUPACN-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O.2ClH/c17-12-6-8-13(9-7-12)19-16(21)15-10-18-11-20(15)14-4-2-1-3-5-14;;/h1-5,10-13H,6-9,17H2,(H,19,21);2*1H
InChIKeyVYKYVRJJUWOBPT-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.72
Rot. Bonds3

About N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride

N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride (PubChem CID 119478845) has the molecular formula C16H22Cl2N4O and a molecular weight of 357.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride
PubChem CID119478845
Molecular FormulaC16H22Cl2N4O
Molecular Weight357.29 g/mol
Exact Mass356.12
IUPAC NameN-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O.2ClH/c17-12-6-8-13(9-7-12)19-16(21)15-10-18-11-20(15)14-4-2-1-3-5-14;;/h1-5,10-13H,6-9,17H2,(H,19,21);2*1H
InChIKeyVYKYVRJJUWOBPT-UHFFFAOYSA-N
XLogP2.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide
CID 86772269
N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide
CID 100656473
1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea
CID 71898793
N-[(1R,3R)-3-aminocyclopentyl]-3-phenyltriazole-4-carboxamide;hydrochloride
CID 154887189
N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477727
N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119474454
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
CID 17426431
N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide
CID 111459853
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
3-phenyl-N-(piperidin-3-ylmethyl)imidazole-4-carboxamide
CID 119464372
N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide
CID 102560819

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride (CID 119478845) is N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(NC(=O)c2cncn2-c2ccccc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride?
The InChIKey is VYKYVRJJUWOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.2ClH/c17-12-6-8-13(9-7-12)19-16(21)15-10-18-11-20(15)14-4-2-1-3-5-14;;/h1-5,10-13H,6-9,17H2,(H,19,21);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride?
N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride has a molecular weight of 357.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119478845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).