1-[3-(4-bromophenyl)propyl]imidazole

C12H13BrN2 — CID 12870397

IUPAC1-[3-(4-bromophenyl)propyl]imidazole
SMILESBrc1ccc(CCCn2ccnc2)cc1
InChIInChI=1S/C12H13BrN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
InChIKeyQCQTVUDLIJGAGO-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.28
Rot. Bonds4

About 1-[3-(4-bromophenyl)propyl]imidazole

1-[3-(4-bromophenyl)propyl]imidazole (PubChem CID 12870397) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)propyl]imidazole
PubChem CID12870397
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name1-[3-(4-bromophenyl)propyl]imidazole
SMILESBrc1ccc(CCCn2ccnc2)cc1
InChIInChI=1S/C12H13BrN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
InChIKeyQCQTVUDLIJGAGO-UHFFFAOYSA-N
XLogP3.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)propyl]imidazole?
The IUPAC name of 1-[3-(4-bromophenyl)propyl]imidazole (CID 12870397) is 1-[3-(4-bromophenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-bromophenyl)propyl]imidazole?
The canonical SMILES for 1-[3-(4-bromophenyl)propyl]imidazole is Brc1ccc(CCCn2ccnc2)cc1.
What is the InChIKey of 1-[3-(4-bromophenyl)propyl]imidazole?
The InChIKey is QCQTVUDLIJGAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2.
What are the key properties of 1-[3-(4-bromophenyl)propyl]imidazole?
1-[3-(4-bromophenyl)propyl]imidazole has a molecular weight of 265.15 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)propyl]imidazole is sourced from PubChem (CID 12870397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).