1-(3,4-dihydronaphthalen-2-yl)imidazole

C13H12N2 — CID 3021558

IUPAC1-(3,4-dihydronaphthalen-2-yl)imidazole
SMILESC1=C(n2ccnc2)CCc2ccccc21
InChIInChI=1S/C13H12N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-10H,5-6H2
InChIKeyDHUCLDOIXQGVDQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.83
Rot. Bonds1

About 1-(3,4-dihydronaphthalen-2-yl)imidazole

1-(3,4-dihydronaphthalen-2-yl)imidazole (PubChem CID 3021558) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3,4-dihydronaphthalen-2-yl)imidazole.

Molecular Properties

Compound Name1-(3,4-dihydronaphthalen-2-yl)imidazole
PubChem CID3021558
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1-(3,4-dihydronaphthalen-2-yl)imidazole
SMILESC1=C(n2ccnc2)CCc2ccccc21
InChIInChI=1S/C13H12N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-10H,5-6H2
InChIKeyDHUCLDOIXQGVDQ-UHFFFAOYSA-N
XLogP2.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydronaphthalen-2-yl)imidazole?
The IUPAC name of 1-(3,4-dihydronaphthalen-2-yl)imidazole (CID 3021558) is 1-(3,4-dihydronaphthalen-2-yl)imidazole.
What is the SMILES notation for 1-(3,4-dihydronaphthalen-2-yl)imidazole?
The canonical SMILES for 1-(3,4-dihydronaphthalen-2-yl)imidazole is C1=C(n2ccnc2)CCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydronaphthalen-2-yl)imidazole?
The InChIKey is DHUCLDOIXQGVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-10H,5-6H2.
What are the key properties of 1-(3,4-dihydronaphthalen-2-yl)imidazole?
1-(3,4-dihydronaphthalen-2-yl)imidazole has a molecular weight of 196.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydronaphthalen-2-yl)imidazole is sourced from PubChem (CID 3021558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).