4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine

C12H16N4O — CID 55012041

IUPAC4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
SMILESCOc1ccccc1CNc1nc(C)[nH]c1N
InChIInChI=1S/C12H16N4O/c1-8-15-11(13)12(16-8)14-7-9-5-3-4-6-10(9)17-2/h3-6,14H,7,13H2,1-2H3,(H,15,16)
InChIKeyYFUCNTFGRPDBCC-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.92
Rot. Bonds4

About 4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine

4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine (PubChem CID 55012041) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
PubChem CID55012041
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
SMILESCOc1ccccc1CNc1nc(C)[nH]c1N
InChIInChI=1S/C12H16N4O/c1-8-15-11(13)12(16-8)14-7-9-5-3-4-6-10(9)17-2/h3-6,14H,7,13H2,1-2H3,(H,15,16)
InChIKeyYFUCNTFGRPDBCC-UHFFFAOYSA-N
XLogP1.92
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80981869
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431070
6-methoxy-2-N-[(2-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 43260997
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride
CID 126966436
2-[(2-methoxyphenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135816304
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
2-amino-3-[(2-methoxyphenyl)methylamino]benzonitrile
CID 104716155
3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
CID 115650170
N-[(2-methoxyphenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 9283471

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine (CID 55012041) is 4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine is COc1ccccc1CNc1nc(C)[nH]c1N.
What is the InChIKey of 4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine?
The InChIKey is YFUCNTFGRPDBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-15-11(13)12(16-8)14-7-9-5-3-4-6-10(9)17-2/h3-6,14H,7,13H2,1-2H3,(H,15,16).
What are the key properties of 4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine?
4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 55012041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).