3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]

C13H16N2 — CID 10104253

IUPAC3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
SMILESCN1C=NC2(CCc3ccccc3C2)C1
InChIInChI=1S/C13H16N2/c1-15-9-13(14-10-15)7-6-11-4-2-3-5-12(11)8-13/h2-5,10H,6-9H2,1H3
InChIKeyNPOOTUJUMPZTKY-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.89
Rot. Bonds

About 3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]

3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole] (PubChem CID 10104253) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole].

Molecular Properties

Compound Name3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
PubChem CID10104253
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
SMILESCN1C=NC2(CCc3ccccc3C2)C1
InChIInChI=1S/C13H16N2/c1-15-9-13(14-10-15)7-6-11-4-2-3-5-12(11)8-13/h2-5,10H,6-9H2,1H3
InChIKeyNPOOTUJUMPZTKY-UHFFFAOYSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]?
The IUPAC name of 3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole] (CID 10104253) is 3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole].
What is the SMILES notation for 3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]?
The canonical SMILES for 3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole] is CN1C=NC2(CCc3ccccc3C2)C1.
What is the InChIKey of 3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]?
The InChIKey is NPOOTUJUMPZTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15-9-13(14-10-15)7-6-11-4-2-3-5-12(11)8-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]?
3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole] has a molecular weight of 200.29 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole] is sourced from PubChem (CID 10104253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).