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

C12H16Cl2N4O — CID 90664845

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride
SMILESCOc1cccc2c1cnn2CC1=NCCN1.Cl.Cl
InChIInChI=1S/C12H14N4O.2ClH/c1-17-11-4-2-3-10-9(11)7-15-16(10)8-12-13-5-6-14-12;;/h2-4,7H,5-6,8H2,1H3,(H,13,14);2*1H
InChIKeyWRTDHHCGXCMSDE-UHFFFAOYSA-N
MW303.19 g/mol
LogP1.89
Rot. Bonds3

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

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride (PubChem CID 90664845) has the molecular formula C12H16Cl2N4O and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride
PubChem CID90664845
Molecular FormulaC12H16Cl2N4O
Molecular Weight303.19 g/mol
Exact Mass302.07
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride
SMILESCOc1cccc2c1cnn2CC1=NCCN1.Cl.Cl
InChIInChI=1S/C12H14N4O.2ClH/c1-17-11-4-2-3-10-9(11)7-15-16(10)8-12-13-5-6-14-12;;/h2-4,7H,5-6,8H2,1H3,(H,13,14);2*1H
InChIKeyWRTDHHCGXCMSDE-UHFFFAOYSA-N
XLogP1.89
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxyindazol-1-amine;hydrochloride
CID 24882012
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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride (CID 90664845) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride is COc1cccc2c1cnn2CC1=NCCN1.Cl.Cl.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride?
The InChIKey is WRTDHHCGXCMSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.2ClH/c1-17-11-4-2-3-10-9(11)7-15-16(10)8-12-13-5-6-14-12;;/h2-4,7H,5-6,8H2,1H3,(H,13,14);2*1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride has a molecular weight of 303.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride is sourced from PubChem (CID 90664845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).