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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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).