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

C17H16ClN3 — CID 79499915

IUPAC1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CCc3ccccc32)N1c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3/c18-13-5-3-6-14(10-13)21-16(19)20-11-17(21)9-8-12-4-1-2-7-15(12)17/h1-7,10H,8-9,11H2,(H2,19,20)
InChIKeyIDADUGQTJNJYOW-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.32
Rot. Bonds1

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

1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine (PubChem CID 79499915) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
PubChem CID79499915
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CCc3ccccc32)N1c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3/c18-13-5-3-6-14(10-13)21-16(19)20-11-17(21)9-8-12-4-1-2-7-15(12)17/h1-7,10H,8-9,11H2,(H2,19,20)
InChIKeyIDADUGQTJNJYOW-UHFFFAOYSA-N
XLogP3.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine (CID 79499915) is 1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine is NC1=NCC2(CCc3ccccc32)N1c1cccc(Cl)c1.
What is the InChIKey of 1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The InChIKey is IDADUGQTJNJYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-13-5-3-6-14(10-13)21-16(19)20-11-17(21)9-8-12-4-1-2-7-15(12)17/h1-7,10H,8-9,11H2,(H2,19,20).
What are the key properties of 1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 297.79 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79499915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).