2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine

C10H12N4 — CID 82235464

IUPAC2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2ccccc2)c(N)[nH]1
InChIInChI=1S/C10H12N4/c1-7-12-9(11)10(13-7)14-8-5-3-2-4-6-8/h2-6,14H,11H2,1H3,(H,12,13)
InChIKeyNESGXBGDXRMIJT-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.04
Rot. Bonds2

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

2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine (PubChem CID 82235464) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
PubChem CID82235464
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2ccccc2)c(N)[nH]1
InChIInChI=1S/C10H12N4/c1-7-12-9(11)10(13-7)14-8-5-3-2-4-6-8/h2-6,14H,11H2,1H3,(H,12,13)
InChIKeyNESGXBGDXRMIJT-UHFFFAOYSA-N
XLogP2.04
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine
CID 115001280
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
CID 55012235
2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine
CID 55012185
2-methyl-4-N-naphthalen-1-yl-1H-imidazole-4,5-diamine
CID 55012377
2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine
CID 114996935
4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 55060202
4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55011852
6-methyl-2-N-phenylpyridine-2,3-diamine
CID 79003921
2-methyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine
CID 134106073
4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235483
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine
CID 55011951

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine (CID 82235464) is 2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine is Cc1nc(Nc2ccccc2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine?
The InChIKey is NESGXBGDXRMIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7-12-9(11)10(13-7)14-8-5-3-2-4-6-8/h2-6,14H,11H2,1H3,(H,12,13).
What are the key properties of 2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine?
2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine has a molecular weight of 188.23 g/mol, XLogP of 2.04, 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-phenyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 82235464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).