5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine

C16H22BrN3 — CID 66479273

IUPAC5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(Br)c(C)c2)c(N)n1CCC
InChIInChI=1S/C16H22BrN3/c1-4-6-14-19-15(16(18)20(14)9-5-2)12-7-8-13(17)11(3)10-12/h7-8,10H,4-6,9,18H2,1-3H3
InChIKeyKOGPRTOXWAHHFR-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.57
Rot. Bonds5

About 5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine

5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine (PubChem CID 66479273) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine
PubChem CID66479273
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(Br)c(C)c2)c(N)n1CCC
InChIInChI=1S/C16H22BrN3/c1-4-6-14-19-15(16(18)20(14)9-5-2)12-7-8-13(17)11(3)10-12/h7-8,10H,4-6,9,18H2,1-3H3
InChIKeyKOGPRTOXWAHHFR-UHFFFAOYSA-N
XLogP4.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
CID 66481274
5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine
CID 66481464
5-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
CID 105410310
5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
CID 66480273
5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine
CID 62219228
5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 81441852
2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
CID 63050525
5-(3-cyclopropylphenyl)-2,3-dipropylimidazol-4-amine
CID 79973607
5-(4-bromo-3-methylphenyl)-2-methyl-3-prop-2-ynylimidazol-4-amine
CID 66481657
3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine
CID 63468177
2-ethyl-5-naphthalen-2-yl-3-propylimidazol-4-amine
CID 62224711
5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine
CID 62219752

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine (CID 66479273) is 5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine is CCCc1nc(-c2ccc(Br)c(C)c2)c(N)n1CCC.
What is the InChIKey of 5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine?
The InChIKey is KOGPRTOXWAHHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-4-6-14-19-15(16(18)20(14)9-5-2)12-7-8-13(17)11(3)10-12/h7-8,10H,4-6,9,18H2,1-3H3.
What are the key properties of 5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine?
5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine has a molecular weight of 336.28 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine is sourced from PubChem (CID 66479273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).