1-(4-bromophenyl)-N-methylimidazol-2-amine

C10H10BrN3 — CID 106558582

IUPAC1-(4-bromophenyl)-N-methylimidazol-2-amine
SMILESCNc1nccn1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3/c1-12-10-13-6-7-14(10)9-4-2-8(11)3-5-9/h2-7H,1H3,(H,12,13)
InChIKeySDMATGMHNIJJMG-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.68
Rot. Bonds2

About 1-(4-bromophenyl)-N-methylimidazol-2-amine

1-(4-bromophenyl)-N-methylimidazol-2-amine (PubChem CID 106558582) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methylimidazol-2-amine
PubChem CID106558582
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name1-(4-bromophenyl)-N-methylimidazol-2-amine
SMILESCNc1nccn1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3/c1-12-10-13-6-7-14(10)9-4-2-8(11)3-5-9/h2-7H,1H3,(H,12,13)
InChIKeySDMATGMHNIJJMG-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methylimidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-methylimidazol-2-amine (CID 106558582) is 1-(4-bromophenyl)-N-methylimidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methylimidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-methylimidazol-2-amine is CNc1nccn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methylimidazol-2-amine?
The InChIKey is SDMATGMHNIJJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-12-10-13-6-7-14(10)9-4-2-8(11)3-5-9/h2-7H,1H3,(H,12,13).
What are the key properties of 1-(4-bromophenyl)-N-methylimidazol-2-amine?
1-(4-bromophenyl)-N-methylimidazol-2-amine has a molecular weight of 252.12 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methylimidazol-2-amine is sourced from PubChem (CID 106558582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).