1H-imidazole;naphthalene

C13H12N2 — CID 66658955

IUPAC1H-imidazole;naphthalene
SMILESc1c[nH]cn1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C3H4N2/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-3-4-1/h1-8H;1-3H,(H,4,5)
InChIKeyKIIGEOHDCOLSHI-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.25
Rot. Bonds

About 1H-imidazole;naphthalene

1H-imidazole;naphthalene (PubChem CID 66658955) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1H-imidazole;naphthalene.

Molecular Properties

Compound Name1H-imidazole;naphthalene
PubChem CID66658955
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1H-imidazole;naphthalene
SMILESc1c[nH]cn1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C3H4N2/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-3-4-1/h1-8H;1-3H,(H,4,5)
InChIKeyKIIGEOHDCOLSHI-UHFFFAOYSA-N
XLogP3.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;naphthalene?
The IUPAC name of 1H-imidazole;naphthalene (CID 66658955) is 1H-imidazole;naphthalene.
What is the SMILES notation for 1H-imidazole;naphthalene?
The canonical SMILES for 1H-imidazole;naphthalene is c1c[nH]cn1.c1ccc2ccccc2c1.
What is the InChIKey of 1H-imidazole;naphthalene?
The InChIKey is KIIGEOHDCOLSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C3H4N2/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-3-4-1/h1-8H;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;naphthalene?
1H-imidazole;naphthalene has a molecular weight of 196.25 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;naphthalene is sourced from PubChem (CID 66658955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).