1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine

C10H12BrN3 — CID 79514863

IUPAC1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine
SMILESCC1CN=C(N)N1c1cccc(Br)c1
InChIInChI=1S/C10H12BrN3/c1-7-6-13-10(12)14(7)9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyOTEBNVAWGQDGQQ-UHFFFAOYSA-N
MW254.13 g/mol
LogP1.97
Rot. Bonds1

About 1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine

1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 79514863) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine
PubChem CID79514863
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine
SMILESCC1CN=C(N)N1c1cccc(Br)c1
InChIInChI=1S/C10H12BrN3/c1-7-6-13-10(12)14(7)9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyOTEBNVAWGQDGQQ-UHFFFAOYSA-N
XLogP1.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hcl
CID 2850414
1,3,5-Triazine-2,4-diamine, 1-(3-bromophenyl)-1,6-dihydro-6,6-dimethyl-
CID 407235
1-(4-Bromo-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 732267
N~2~-(3-bromophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 752521
Urea, 1-(m-bromophenyl)-3-(1-methyl-2-pyrrolidinylidene)-
CID 9554221
{2-[(3-Bromophenyl)amino]ethyl}dimethylamine
CID 28581237
(5S)-1-ethyl-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856300
1-(4-Bromo-phenyl)-6-ethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 44325107
1-(4-Bromo-phenyl)-6-methyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 44325118
1-(4-Bromo-phenyl)-6-propyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 44325296
1-(4-Bromo-phenyl)-6-isopropyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 44325300
1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine
CID 25102577

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine (CID 79514863) is 1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine is CC1CN=C(N)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is OTEBNVAWGQDGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7-6-13-10(12)14(7)9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine?
1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 254.13 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).