5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride

C12H13BrClN3 — CID 57447472

IUPAC5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride
SMILESCc1[nH]c2ccc(Br)cc2c1C1=NCCN1.Cl
InChIInChI=1S/C12H12BrN3.ClH/c1-7-11(12-14-4-5-15-12)9-6-8(13)2-3-10(9)16-7;/h2-3,6,16H,4-5H2,1H3,(H,14,15);1H
InChIKeyBLPQMFYOPLRZJF-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.01
Rot. Bonds1

About 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride

5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride (PubChem CID 57447472) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride
PubChem CID57447472
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride
SMILESCc1[nH]c2ccc(Br)cc2c1C1=NCCN1.Cl
InChIInChI=1S/C12H12BrN3.ClH/c1-7-11(12-14-4-5-15-12)9-6-8(13)2-3-10(9)16-7;/h2-3,6,16H,4-5H2,1H3,(H,14,15);1H
InChIKeyBLPQMFYOPLRZJF-UHFFFAOYSA-N
XLogP3.01
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride?
The IUPAC name of 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride (CID 57447472) is 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride.
What is the SMILES notation for 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride?
The canonical SMILES for 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride is Cc1[nH]c2ccc(Br)cc2c1C1=NCCN1.Cl.
What is the InChIKey of 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride?
The InChIKey is BLPQMFYOPLRZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3.ClH/c1-7-11(12-14-4-5-15-12)9-6-8(13)2-3-10(9)16-7;/h2-3,6,16H,4-5H2,1H3,(H,14,15);1H.
What are the key properties of 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride?
5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride has a molecular weight of 314.61 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride is sourced from PubChem (CID 57447472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).