4-bromo-N,1-dimethylimidazol-2-amine

C5H8BrN3 — CID 117189285

IUPAC4-bromo-N,1-dimethylimidazol-2-amine
SMILESCNc1nc(Br)cn1C
InChIInChI=1S/C5H8BrN3/c1-7-5-8-4(6)3-9(5)2/h3H,1-2H3,(H,7,8)
InChIKeyAYQITLFMNVMFPK-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.22
Rot. Bonds1

About 4-bromo-N,1-dimethylimidazol-2-amine

4-bromo-N,1-dimethylimidazol-2-amine (PubChem CID 117189285) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 4-bromo-N,1-dimethylimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-N,1-dimethylimidazol-2-amine
PubChem CID117189285
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name4-bromo-N,1-dimethylimidazol-2-amine
SMILESCNc1nc(Br)cn1C
InChIInChI=1S/C5H8BrN3/c1-7-5-8-4(6)3-9(5)2/h3H,1-2H3,(H,7,8)
InChIKeyAYQITLFMNVMFPK-UHFFFAOYSA-N
XLogP1.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-methylimidazol-2-yl)methanethiol
CID 117187457
N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine
CID 117187425
2-(azetidin-1-yl)-4-bromo-1-methylimidazole
CID 172992766
4-bromo-N,N-diethyl-1-methylimidazol-2-amine
CID 172992482
2-(4-bromo-1-methylimidazol-2-yl)acetic acid
CID 175221761
N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine
CID 117187124
methyl (E)-3-(4-bromo-1-methylimidazol-2-yl)prop-2-enoate
CID 171550692
6-bromo-N,1-dimethylbenzimidazol-2-amine
CID 84629605
4-bromo-1-methyl-2-(3-methylphenyl)imidazole
CID 30032990
3,6-dibromo-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 14207597
4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 172992944
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,1-dimethylimidazol-2-amine?
The IUPAC name of 4-bromo-N,1-dimethylimidazol-2-amine (CID 117189285) is 4-bromo-N,1-dimethylimidazol-2-amine.
What is the SMILES notation for 4-bromo-N,1-dimethylimidazol-2-amine?
The canonical SMILES for 4-bromo-N,1-dimethylimidazol-2-amine is CNc1nc(Br)cn1C.
What is the InChIKey of 4-bromo-N,1-dimethylimidazol-2-amine?
The InChIKey is AYQITLFMNVMFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-7-5-8-4(6)3-9(5)2/h3H,1-2H3,(H,7,8).
What are the key properties of 4-bromo-N,1-dimethylimidazol-2-amine?
4-bromo-N,1-dimethylimidazol-2-amine has a molecular weight of 190.04 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,1-dimethylimidazol-2-amine is sourced from PubChem (CID 117189285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).