4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole

C14H17BrN2 — CID 58970273

IUPAC4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole
SMILESCn1cc(-c2ccc(Br)cc2)nc1C(C)(C)C
InChIInChI=1S/C14H17BrN2/c1-14(2,3)13-16-12(9-17(13)4)10-5-7-11(15)8-6-10/h5-9H,1-4H3
InChIKeyZEJDOOUATDYZNS-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.15
Rot. Bonds1

About 4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole

4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole (PubChem CID 58970273) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole
PubChem CID58970273
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole
SMILESCn1cc(-c2ccc(Br)cc2)nc1C(C)(C)C
InChIInChI=1S/C14H17BrN2/c1-14(2,3)13-16-12(9-17(13)4)10-5-7-11(15)8-6-10/h5-9H,1-4H3
InChIKeyZEJDOOUATDYZNS-UHFFFAOYSA-N
XLogP4.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole?
The IUPAC name of 4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole (CID 58970273) is 4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole?
The canonical SMILES for 4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole is Cn1cc(-c2ccc(Br)cc2)nc1C(C)(C)C.
What is the InChIKey of 4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole?
The InChIKey is ZEJDOOUATDYZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-14(2,3)13-16-12(9-17(13)4)10-5-7-11(15)8-6-10/h5-9H,1-4H3.
What are the key properties of 4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole?
4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole has a molecular weight of 293.21 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole is sourced from PubChem (CID 58970273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).