2-methyl-1H-imidazole;naphthalene-2,6-diamine

C14H16N4 — CID 174950702

IUPAC2-methyl-1H-imidazole;naphthalene-2,6-diamine
SMILESCc1ncc[nH]1.Nc1ccc2cc(N)ccc2c1
InChIInChI=1S/C10H10N2.C4H6N2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;1-4-5-2-3-6-4/h1-6H,11-12H2;2-3H,1H3,(H,5,6)
InChIKeyMMJRZRGAEXUJKW-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.72
Rot. Bonds

About 2-methyl-1H-imidazole;naphthalene-2,6-diamine

2-methyl-1H-imidazole;naphthalene-2,6-diamine (PubChem CID 174950702) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-methyl-1H-imidazole;naphthalene-2,6-diamine.

Molecular Properties

Compound Name2-methyl-1H-imidazole;naphthalene-2,6-diamine
PubChem CID174950702
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-methyl-1H-imidazole;naphthalene-2,6-diamine
SMILESCc1ncc[nH]1.Nc1ccc2cc(N)ccc2c1
InChIInChI=1S/C10H10N2.C4H6N2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;1-4-5-2-3-6-4/h1-6H,11-12H2;2-3H,1H3,(H,5,6)
InChIKeyMMJRZRGAEXUJKW-UHFFFAOYSA-N
XLogP2.72
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole;naphthalene-2,6-diamine?
The IUPAC name of 2-methyl-1H-imidazole;naphthalene-2,6-diamine (CID 174950702) is 2-methyl-1H-imidazole;naphthalene-2,6-diamine.
What is the SMILES notation for 2-methyl-1H-imidazole;naphthalene-2,6-diamine?
The canonical SMILES for 2-methyl-1H-imidazole;naphthalene-2,6-diamine is Cc1ncc[nH]1.Nc1ccc2cc(N)ccc2c1.
What is the InChIKey of 2-methyl-1H-imidazole;naphthalene-2,6-diamine?
The InChIKey is MMJRZRGAEXUJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C4H6N2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;1-4-5-2-3-6-4/h1-6H,11-12H2;2-3H,1H3,(H,5,6).
What are the key properties of 2-methyl-1H-imidazole;naphthalene-2,6-diamine?
2-methyl-1H-imidazole;naphthalene-2,6-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.72, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole;naphthalene-2,6-diamine is sourced from PubChem (CID 174950702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).