5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole

C12H11BrN2 — CID 89481039

IUPAC5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
SMILESBrc1cccc(-c2cnc(C3CC3)[nH]2)c1
InChIInChI=1S/C12H11BrN2/c13-10-3-1-2-9(6-10)11-7-14-12(15-11)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyPORPGMTWRPSGIV-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.72
Rot. Bonds2

About 5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole

5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole (PubChem CID 89481039) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
PubChem CID89481039
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
SMILESBrc1cccc(-c2cnc(C3CC3)[nH]2)c1
InChIInChI=1S/C12H11BrN2/c13-10-3-1-2-9(6-10)11-7-14-12(15-11)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyPORPGMTWRPSGIV-UHFFFAOYSA-N
XLogP3.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole?
The IUPAC name of 5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole (CID 89481039) is 5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole.
What is the SMILES notation for 5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole?
The canonical SMILES for 5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole is Brc1cccc(-c2cnc(C3CC3)[nH]2)c1.
What is the InChIKey of 5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole?
The InChIKey is PORPGMTWRPSGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-10-3-1-2-9(6-10)11-7-14-12(15-11)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15).
What are the key properties of 5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole?
5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole has a molecular weight of 263.14 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole is sourced from PubChem (CID 89481039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).