2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine

C10H9F3N4 — CID 114996935

IUPAC2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2cc(F)c(F)c(F)c2)c(N)[nH]1
InChIInChI=1S/C10H9F3N4/c1-4-15-9(14)10(16-4)17-5-2-6(11)8(13)7(12)3-5/h2-3,17H,14H2,1H3,(H,15,16)
InChIKeyQQMKBYNHUUKVFN-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine

2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine (PubChem CID 114996935) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine
PubChem CID114996935
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2cc(F)c(F)c(F)c2)c(N)[nH]1
InChIInChI=1S/C10H9F3N4/c1-4-15-9(14)10(16-4)17-5-2-6(11)8(13)7(12)3-5/h2-3,17H,14H2,1H3,(H,15,16)
InChIKeyQQMKBYNHUUKVFN-UHFFFAOYSA-N
XLogP2.46
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
CID 82235464
2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine
CID 115001280
4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235483
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
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
4-N-(3,4,5-trifluorophenyl)pyrimidine-4,5-diamine
CID 79917364
4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 55060202
2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825104
2-methyl-4-N-naphthalen-1-yl-1H-imidazole-4,5-diamine
CID 55012377
4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55011852
6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80825639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine (CID 114996935) is 2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine is Cc1nc(Nc2cc(F)c(F)c(F)c2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine?
The InChIKey is QQMKBYNHUUKVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c1-4-15-9(14)10(16-4)17-5-2-6(11)8(13)7(12)3-5/h2-3,17H,14H2,1H3,(H,15,16).
What are the key properties of 2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine?
2-methyl-4-N-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine has a molecular weight of 242.20 g/mol, XLogP of 2.46, 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-(3,4,5-trifluorophenyl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 114996935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).