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

C11H14BrN3 — CID 59922099

IUPACN-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1c(Br)ccc(NC2=NCCN2)c1C
InChIInChI=1S/C11H14BrN3/c1-7-8(2)10(4-3-9(7)12)15-11-13-5-6-14-11/h3-4H,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyYODSETNZEYORCW-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.44
Rot. Bonds1

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

N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 59922099) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID59922099
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC NameN-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1c(Br)ccc(NC2=NCCN2)c1C
InChIInChI=1S/C11H14BrN3/c1-7-8(2)10(4-3-9(7)12)15-11-13-5-6-14-11/h3-4H,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyYODSETNZEYORCW-UHFFFAOYSA-N
XLogP2.44
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 86008018
N-(5-bromo-4-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107591814
N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 90678855
N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400222
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
N-(2-bromo-3-chloro-5-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 59922089
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine
CID 15225712
N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52949076
5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 101483266
N-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 5242373
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 103193106
methyl 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylbenzoate
CID 12769659

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 59922099) is N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine is Cc1c(Br)ccc(NC2=NCCN2)c1C.
What is the InChIKey of N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is YODSETNZEYORCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-7-8(2)10(4-3-9(7)12)15-11-13-5-6-14-11/h3-4H,5-6H2,1-2H3,(H2,13,14,15).
What are the key properties of N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 268.16 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 59922099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).