4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride

C12H13BrClN3 — CID 127047043

IUPAC4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride
SMILESBrc1cccc2c1ccn2CC1=NCCN1.Cl
InChIInChI=1S/C12H12BrN3.ClH/c13-10-2-1-3-11-9(10)4-7-16(11)8-12-14-5-6-15-12;/h1-4,7H,5-6,8H2,(H,14,15);1H
InChIKeyDABBFDDZOTVBSX-UHFFFAOYSA-N
MW314.61 g/mol
LogP2.83
Rot. Bonds2

About 4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride

4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride (PubChem CID 127047043) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is 4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride.

Molecular Properties

Compound Name4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride
PubChem CID127047043
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride
SMILESBrc1cccc2c1ccn2CC1=NCCN1.Cl
InChIInChI=1S/C12H12BrN3.ClH/c13-10-2-1-3-11-9(10)4-7-16(11)8-12-14-5-6-15-12;/h1-4,7H,5-6,8H2,(H,14,15);1H
InChIKeyDABBFDDZOTVBSX-UHFFFAOYSA-N
XLogP2.83
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
The IUPAC name of 4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride (CID 127047043) is 4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride.
What is the SMILES notation for 4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
The canonical SMILES for 4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride is Brc1cccc2c1ccn2CC1=NCCN1.Cl.
What is the InChIKey of 4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
The InChIKey is DABBFDDZOTVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3.ClH/c13-10-2-1-3-11-9(10)4-7-16(11)8-12-14-5-6-15-12;/h1-4,7H,5-6,8H2,(H,14,15);1H.
What are the key properties of 4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride has a molecular weight of 314.61 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride is sourced from PubChem (CID 127047043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).