2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine

C14H14N4 — CID 115001280

IUPAC2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2ccc3ccccc3c2)c(N)[nH]1
InChIInChI=1S/C14H14N4/c1-9-16-13(15)14(17-9)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,18H,15H2,1H3,(H,16,17)
InChIKeyHWOHHAOHWMIGHS-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.20
Rot. Bonds2

About 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine

2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine (PubChem CID 115001280) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine
PubChem CID115001280
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2ccc3ccccc3c2)c(N)[nH]1
InChIInChI=1S/C14H14N4/c1-9-16-13(15)14(17-9)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,18H,15H2,1H3,(H,16,17)
InChIKeyHWOHHAOHWMIGHS-UHFFFAOYSA-N
XLogP3.20
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine (CID 115001280) is 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine is Cc1nc(Nc2ccc3ccccc3c2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine?
The InChIKey is HWOHHAOHWMIGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-16-13(15)14(17-9)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,18H,15H2,1H3,(H,16,17).
What are the key properties of 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine?
2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine has a molecular weight of 238.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 115001280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).