1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine

C18H19N3 — CID 79500130

IUPAC1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
SMILESCc1cccc(N2C(N)=NCC23Cc2ccccc2C3)c1
InChIInChI=1S/C18H19N3/c1-13-5-4-8-16(9-13)21-17(19)20-12-18(21)10-14-6-2-3-7-15(14)11-18/h2-9H,10-12H2,1H3,(H2,19,20)
InChIKeyXDTAOYGPSFOWNK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.67
Rot. Bonds1

About 1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine

1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine (PubChem CID 79500130) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
PubChem CID79500130
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
SMILESCc1cccc(N2C(N)=NCC23Cc2ccccc2C3)c1
InChIInChI=1S/C18H19N3/c1-13-5-4-8-16(9-13)21-17(19)20-12-18(21)10-14-6-2-3-7-15(14)11-18/h2-9H,10-12H2,1H3,(H2,19,20)
InChIKeyXDTAOYGPSFOWNK-UHFFFAOYSA-N
XLogP2.67
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N''-Di-indan-4-yl-guanidine
CID 10108342
2-methyl-1-[7-[(N'-methylcarbamimidoyl)amino]-9H-fluoren-2-yl]guanidine
CID 11220559
2-propan-2-yl-1-[7-[(N'-propan-2-ylcarbamimidoyl)amino]-9H-fluoren-2-yl]guanidine
CID 11222282
2-N,7-N-bis(4,5-dihydro-1H-imidazol-2-yl)-9H-fluorene-2,7-diamine
CID 24799812
6,6-Dimethyl-1-[3-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 418679
(4,5-Dihydro-1H-imidazol-2-yl)-(2-methyl-biphenyl-3-yl)-amine
CID 10106205
2-ethyl-1-[7-[(N'-ethylcarbamimidoyl)amino]-9H-fluoren-2-yl]guanidine
CID 11382121
(5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
CID 25102668
N-[2-methyl-3-(3-methylphenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44324403
N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
CID 24856264
(5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
CID 24856302
2-N,6-N-bis(4,5-dihydro-1H-imidazol-2-yl)-9H-fluorene-2,6-diamine
CID 44125946

Frequently Asked Questions

What is the IUPAC name of 1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine (CID 79500130) is 1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine is Cc1cccc(N2C(N)=NCC23Cc2ccccc2C3)c1.
What is the InChIKey of 1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine?
The InChIKey is XDTAOYGPSFOWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-5-4-8-16(9-13)21-17(19)20-12-18(21)10-14-6-2-3-7-15(14)11-18/h2-9H,10-12H2,1H3,(H2,19,20).
What are the key properties of 1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine?
1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine has a molecular weight of 277.37 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79500130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).