N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

C10H12BrN3 — CID 86008018

IUPACN-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1cccc(NC2=NCCN2)c1Br
InChIInChI=1S/C10H12BrN3/c1-7-3-2-4-8(9(7)11)14-10-12-5-6-13-10/h2-4H,5-6H2,1H3,(H2,12,13,14)
InChIKeyPJYGZLOWLHMERI-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.13
Rot. Bonds1

About N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 86008018) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID86008018
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC NameN-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1cccc(NC2=NCCN2)c1Br
InChIInChI=1S/C10H12BrN3/c1-7-3-2-4-8(9(7)11)14-10-12-5-6-13-10/h2-4H,5-6H2,1H3,(H2,12,13,14)
InChIKeyPJYGZLOWLHMERI-UHFFFAOYSA-N
XLogP2.13
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 90678855
N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 59922099
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
N-(4,5-dihydro-1H-imidazol-2-yl)-3-methylpyridin-2-amine
CID 10559185
N-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 5242373
2-chloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine
CID 125427077
N-(2-methyl-6-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 24804885
N-[2-(2,6-difluorophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 15175561
N-(2-bromo-3-chloro-5-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 59922089
N-(5-bromo-4-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107591814
N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400222
N-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114399974

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 86008018) is N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine is Cc1cccc(NC2=NCCN2)c1Br.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is PJYGZLOWLHMERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7-3-2-4-8(9(7)11)14-10-12-5-6-13-10/h2-4H,5-6H2,1H3,(H2,12,13,14).
What are the key properties of N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 254.13 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 86008018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).