4-(2,5-dimethyl-1H-imidazol-4-yl)aniline

C11H13N3 — CID 82048495

IUPAC4-(2,5-dimethyl-1H-imidazol-4-yl)aniline
SMILESCc1nc(-c2ccc(N)cc2)c(C)[nH]1
InChIInChI=1S/C11H13N3/c1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyVNJMUYQPVNZIGN-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.28
Rot. Bonds1

About 4-(2,5-dimethyl-1H-imidazol-4-yl)aniline

4-(2,5-dimethyl-1H-imidazol-4-yl)aniline (PubChem CID 82048495) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1H-imidazol-4-yl)aniline.

Molecular Properties

Compound Name4-(2,5-dimethyl-1H-imidazol-4-yl)aniline
PubChem CID82048495
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-(2,5-dimethyl-1H-imidazol-4-yl)aniline
SMILESCc1nc(-c2ccc(N)cc2)c(C)[nH]1
InChIInChI=1S/C11H13N3/c1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyVNJMUYQPVNZIGN-UHFFFAOYSA-N
XLogP2.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]methanesulfonamide
CID 90124221
5-methyl-4-(4-propan-2-ylphenyl)-1H-imidazol-2-amine
CID 82471370
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221
4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol
CID 115023925
2-bromo-4-(4-chlorophenyl)-5-methyl-1H-imidazole
CID 83664346
2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 158996329
2,5-dimethyl-4-(2,4,6-trimethylphenyl)-1H-imidazole
CID 22935263
4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
CID 115024516
[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82284727
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1H-imidazol-4-yl)aniline?
The IUPAC name of 4-(2,5-dimethyl-1H-imidazol-4-yl)aniline (CID 82048495) is 4-(2,5-dimethyl-1H-imidazol-4-yl)aniline.
What is the SMILES notation for 4-(2,5-dimethyl-1H-imidazol-4-yl)aniline?
The canonical SMILES for 4-(2,5-dimethyl-1H-imidazol-4-yl)aniline is Cc1nc(-c2ccc(N)cc2)c(C)[nH]1.
What is the InChIKey of 4-(2,5-dimethyl-1H-imidazol-4-yl)aniline?
The InChIKey is VNJMUYQPVNZIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 4-(2,5-dimethyl-1H-imidazol-4-yl)aniline?
4-(2,5-dimethyl-1H-imidazol-4-yl)aniline has a molecular weight of 187.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1H-imidazol-4-yl)aniline is sourced from PubChem (CID 82048495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).