1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride

C12H16Cl2N4 — CID 90664344

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride
SMILESCc1nn(CC2=NCCN2)c2ccccc12.Cl.Cl
InChIInChI=1S/C12H14N4.2ClH/c1-9-10-4-2-3-5-11(10)16(15-9)8-12-13-6-7-14-12;;/h2-5H,6-8H2,1H3,(H,13,14);2*1H
InChIKeyZDKYGPOYBJIQOR-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.19
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride (PubChem CID 90664344) has the molecular formula C12H16Cl2N4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride
PubChem CID90664344
Molecular FormulaC12H16Cl2N4
Molecular Weight287.19 g/mol
Exact Mass286.08
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride
SMILESCc1nn(CC2=NCCN2)c2ccccc12.Cl.Cl
InChIInChI=1S/C12H14N4.2ClH/c1-9-10-4-2-3-5-11(10)16(15-9)8-12-13-6-7-14-12;;/h2-5H,6-8H2,1H3,(H,13,14);2*1H
InChIKeyZDKYGPOYBJIQOR-UHFFFAOYSA-N
XLogP2.19
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-3-yl)aniline
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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride (CID 90664344) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride is Cc1nn(CC2=NCCN2)c2ccccc12.Cl.Cl.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride?
The InChIKey is ZDKYGPOYBJIQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.2ClH/c1-9-10-4-2-3-5-11(10)16(15-9)8-12-13-6-7-14-12;;/h2-5H,6-8H2,1H3,(H,13,14);2*1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride has a molecular weight of 287.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylindazole;dihydrochloride is sourced from PubChem (CID 90664344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).