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

C11H13ClN4 — CID 57391903

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
SMILESCl.c1ccc2c(c1)cnn2CC1=NCCN1
InChIInChI=1S/C11H12N4.ClH/c1-2-4-10-9(3-1)7-14-15(10)8-11-12-5-6-13-11;/h1-4,7H,5-6,8H2,(H,12,13);1H
InChIKeyQWSLIGCPUINPNK-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.46
Rot. Bonds2

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

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride (PubChem CID 57391903) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
PubChem CID57391903
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
SMILESCl.c1ccc2c(c1)cnn2CC1=NCCN1
InChIInChI=1S/C11H12N4.ClH/c1-2-4-10-9(3-1)7-14-15(10)8-11-12-5-6-13-11;/h1-4,7H,5-6,8H2,(H,12,13);1H
InChIKeyQWSLIGCPUINPNK-UHFFFAOYSA-N
XLogP1.46
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.46
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)indazole;hydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride (CID 57391903) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride is Cl.c1ccc2c(c1)cnn2CC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
The InChIKey is QWSLIGCPUINPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4.ClH/c1-2-4-10-9(3-1)7-14-15(10)8-11-12-5-6-13-11;/h1-4,7H,5-6,8H2,(H,12,13);1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride has a molecular weight of 236.71 g/mol, XLogP of 1.46, 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)indazole;hydrochloride is sourced from PubChem (CID 57391903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).