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

C11H11FN4 — CID 118717251

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole
SMILESFc1cccc2c1cnn2CC1=NCCN1
InChIInChI=1S/C11H11FN4/c12-9-2-1-3-10-8(9)6-15-16(10)7-11-13-4-5-14-11/h1-3,6H,4-5,7H2,(H,13,14)
InChIKeyYGAJEEIPOLIWNS-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.18
Rot. Bonds2

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

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole (PubChem CID 118717251) has the molecular formula C11H11FN4 and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole
PubChem CID118717251
Molecular FormulaC11H11FN4
Molecular Weight218.23 g/mol
Exact Mass218.10
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole
SMILESFc1cccc2c1cnn2CC1=NCCN1
InChIInChI=1S/C11H11FN4/c12-9-2-1-3-10-8(9)6-15-16(10)7-11-13-4-5-14-11/h1-3,6H,4-5,7H2,(H,13,14)
InChIKeyYGAJEEIPOLIWNS-UHFFFAOYSA-N
XLogP1.18
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.18
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)-4-fluoroindazole?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole (CID 118717251) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole is Fc1cccc2c1cnn2CC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole?
The InChIKey is YGAJEEIPOLIWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c12-9-2-1-3-10-8(9)6-15-16(10)7-11-13-4-5-14-11/h1-3,6H,4-5,7H2,(H,13,14).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoroindazole has a molecular weight of 218.23 g/mol, XLogP of 1.18, 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)-4-fluoroindazole is sourced from PubChem (CID 118717251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).