1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide

C21H22N6 — CID 67672706

IUPAC1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1CCC2=Nc1nc(N)[nH]c1-c1cc(C)cc(C)c1
InChIInChI=1S/C21H22N6/c1-11-8-12(2)10-13(9-11)18-20(27-21(24)26-18)25-17-7-6-14-15(17)4-3-5-16(14)19(22)23/h3-5,8-10H,6-7H2,1-2H3,(H3,22,23)(H3,24,26,27)
InChIKeyGMCOXJORNUGNJP-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.63
Rot. Bonds3

About 1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide

1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide (PubChem CID 67672706) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide.

Molecular Properties

Compound Name1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide
PubChem CID67672706
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1CCC2=Nc1nc(N)[nH]c1-c1cc(C)cc(C)c1
InChIInChI=1S/C21H22N6/c1-11-8-12(2)10-13(9-11)18-20(27-21(24)26-18)25-17-7-6-14-15(17)4-3-5-16(14)19(22)23/h3-5,8-10H,6-7H2,1-2H3,(H3,22,23)(H3,24,26,27)
InChIKeyGMCOXJORNUGNJP-UHFFFAOYSA-N
XLogP3.63
TPSA116.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 67673913
5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride
CID 67672739
1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide
CID 57306774
(1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 18937950
5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide
CID 57164337
5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride
CID 18937912
3-(1H-indol-6-yl)benzene-1,2-dicarboximidamide
CID 54142085
2-fluoro-3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 107118487
pyrene-2-carboximidamide
CID 151524830
2-[5-(4-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole-4-carboximidamide
CID 57107568
2-(3-bromophenyl)benzenecarboximidamide
CID 6344753
3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide
CID 174903596

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide?
The IUPAC name of 1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide (CID 67672706) is 1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide.
What is the SMILES notation for 1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide?
The canonical SMILES for 1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide is [H]/N=C(\N)c1cccc2c1CCC2=Nc1nc(N)[nH]c1-c1cc(C)cc(C)c1.
What is the InChIKey of 1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide?
The InChIKey is GMCOXJORNUGNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-11-8-12(2)10-13(9-11)18-20(27-21(24)26-18)25-17-7-6-14-15(17)4-3-5-16(14)19(22)23/h3-5,8-10H,6-7H2,1-2H3,(H3,22,23)(H3,24,26,27).
What are the key properties of 1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide?
1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide has a molecular weight of 358.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide is sourced from PubChem (CID 67672706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).