1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride

C12H15ClN4 — CID 57400569

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride
SMILESCc1cccc2cnn(CC3=NCCN3)c12.Cl
InChIInChI=1S/C12H14N4.ClH/c1-9-3-2-4-10-7-15-16(12(9)10)8-11-13-5-6-14-11;/h2-4,7H,5-6,8H2,1H3,(H,13,14);1H
InChIKeyJTONPIURNMAKCX-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.77
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride (PubChem CID 57400569) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride
PubChem CID57400569
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride
SMILESCc1cccc2cnn(CC3=NCCN3)c12.Cl
InChIInChI=1S/C12H14N4.ClH/c1-9-3-2-4-10-7-15-16(12(9)10)8-11-13-5-6-14-11;/h2-4,7H,5-6,8H2,1H3,(H,13,14);1H
InChIKeyJTONPIURNMAKCX-UHFFFAOYSA-N
XLogP1.77
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride (CID 57400569) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride is Cc1cccc2cnn(CC3=NCCN3)c12.Cl.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride?
The InChIKey is JTONPIURNMAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.ClH/c1-9-3-2-4-10-7-15-16(12(9)10)8-11-13-5-6-14-11;/h2-4,7H,5-6,8H2,1H3,(H,13,14);1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-methylindazole;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 1.77, 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)-7-methylindazole;hydrochloride is sourced from PubChem (CID 57400569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).