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

C10H12BrN3 — CID 114400222

IUPACN-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccc(NC2=NCCN2)cc1Br
InChIInChI=1S/C10H12BrN3/c1-7-2-3-8(6-9(7)11)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)
InChIKeyROPPBSZVYQYZHH-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.13
Rot. Bonds1

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

N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 114400222) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID114400222
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC NameN-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccc(NC2=NCCN2)cc1Br
InChIInChI=1S/C10H12BrN3/c1-7-2-3-8(6-9(7)11)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)
InChIKeyROPPBSZVYQYZHH-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-(3-fluoro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 3088359
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
N-(5-bromo-4-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107591814
N-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10354248
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine
CID 18343053
N-(4,5-dihydro-1H-imidazol-2-yl)-1-methylindazol-6-amine
CID 13255550
4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027243
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
CID 122189110
7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
CID 67832071
1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide
CID 45260042
N-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 15388991
4-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid
CID 20619265

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 114400222) is N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine is Cc1ccc(NC2=NCCN2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is ROPPBSZVYQYZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7-2-3-8(6-9(7)11)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14).
What are the key properties of N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(3-bromo-4-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-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 114400222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).