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

C13H12BrClN2 — CID 11232184

IUPAC5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride
SMILESBrc1ccc2c(c1)CC/C2=C\c1cnc[nH]1.Cl
InChIInChI=1S/C13H11BrN2.ClH/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);1H/b10-6+;
InChIKeyAIOJIHFEWOTESX-AAGWESIMSA-N
MW311.61 g/mol
LogP4.08
Rot. Bonds1

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

5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride (PubChem CID 11232184) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride
PubChem CID11232184
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride
SMILESBrc1ccc2c(c1)CC/C2=C\c1cnc[nH]1.Cl
InChIInChI=1S/C13H11BrN2.ClH/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);1H/b10-6+;
InChIKeyAIOJIHFEWOTESX-AAGWESIMSA-N
XLogP4.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Atipamezole Hydrochloride
CID 13649426
4-(4-Bromophenyl)-1H-imidazole
CID 818595
Imidazolylmethylenetetrahydronaphthalene 1b
CID 6540030
Imidazolylmethyleneindane 2a
CID 6540032
Imidazolylmethyleneindane 2b
CID 6540033
Imidazolylmethyleneindane 5b
CID 6540035
Imidazolylmethyleneindane 7b
CID 6540038
Imidazolylmethyleneindane 9b
CID 6540042
5-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
CID 6540043
4-(4-bromobenzyl)-1H-imidazole
CID 24825520
5-(4-bromophenyl)-1H-imidazol-2-amine
CID 13012255
5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole
CID 6540031

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride (CID 11232184) is 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride is Brc1ccc2c(c1)CC/C2=C\c1cnc[nH]1.Cl.
What is the InChIKey of 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride?
The InChIKey is AIOJIHFEWOTESX-AAGWESIMSA-N. The full InChI is InChI=1S/C13H11BrN2.ClH/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);1H/b10-6+;.
What are the key properties of 5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride?
5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride has a molecular weight of 311.61 g/mol, XLogP of 4.08, 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;hydrochloride is sourced from PubChem (CID 11232184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).