7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole

C11H12N4 — CID 169281050

IUPAC7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole
SMILESc1cc(CC2=NCCN2)c2[nH]ncc2c1
InChIInChI=1S/C11H12N4/c1-2-8(6-10-12-4-5-13-10)11-9(3-1)7-14-15-11/h1-3,7H,4-6H2,(H,12,13)(H,14,15)
InChIKeyBWKFEDDIPLAPMX-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.11
Rot. Bonds2

About 7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole

7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole (PubChem CID 169281050) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole.

Molecular Properties

Compound Name7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole
PubChem CID169281050
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole
SMILESc1cc(CC2=NCCN2)c2[nH]ncc2c1
InChIInChI=1S/C11H12N4/c1-2-8(6-10-12-4-5-13-10)11-9(3-1)7-14-15-11/h1-3,7H,4-6H2,(H,12,13)(H,14,15)
InChIKeyBWKFEDDIPLAPMX-UHFFFAOYSA-N
XLogP1.11
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole?
The IUPAC name of 7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole (CID 169281050) is 7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole.
What is the SMILES notation for 7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole?
The canonical SMILES for 7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole is c1cc(CC2=NCCN2)c2[nH]ncc2c1.
What is the InChIKey of 7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole?
The InChIKey is BWKFEDDIPLAPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-8(6-10-12-4-5-13-10)11-9(3-1)7-14-15-11/h1-3,7H,4-6H2,(H,12,13)(H,14,15).
What are the key properties of 7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole?
7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole has a molecular weight of 200.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole is sourced from PubChem (CID 169281050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).