5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole

C13H11BrN2 — CID 6540042

IUPAC5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
SMILESBrc1ccc2c(c1)CC/C2=C\c1cnc[nH]1
InChIInChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)/b10-6+
InChIKeySNWLVVNOSVKKRA-UXBLZVDNSA-N
MW275.15 g/mol
LogP3.66
Rot. Bonds1

About 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole

5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole (PubChem CID 6540042) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
PubChem CID6540042
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
SMILESBrc1ccc2c(c1)CC/C2=C\c1cnc[nH]1
InChIInChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)/b10-6+
InChIKeySNWLVVNOSVKKRA-UXBLZVDNSA-N
XLogP3.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole?
The IUPAC name of 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole (CID 6540042) is 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole?
The canonical SMILES for 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole is Brc1ccc2c(c1)CC/C2=C\c1cnc[nH]1.
What is the InChIKey of 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole?
The InChIKey is SNWLVVNOSVKKRA-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)/b10-6+.
What are the key properties of 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole?
5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole has a molecular weight of 275.15 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole is sourced from PubChem (CID 6540042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).