2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole

C11H9FN6 — CID 23723019

IUPAC2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole
SMILESCn1ccnc1-c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN6/c1-17-7-6-13-11(17)10-14-16-18(15-10)9-4-2-8(12)3-5-9/h2-7H,1H3
InChIKeyXEMISDQHGZSXEQ-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.20
Rot. Bonds2

About 2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole

2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole (PubChem CID 23723019) has the molecular formula C11H9FN6 and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole
PubChem CID23723019
Molecular FormulaC11H9FN6
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole
SMILESCn1ccnc1-c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN6/c1-17-7-6-13-11(17)10-14-16-18(15-10)9-4-2-8(12)3-5-9/h2-7H,1H3
InChIKeyXEMISDQHGZSXEQ-UHFFFAOYSA-N
XLogP1.20
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole (CID 23723019) is 2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole is Cn1ccnc1-c1nnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole?
The InChIKey is XEMISDQHGZSXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6/c1-17-7-6-13-11(17)10-14-16-18(15-10)9-4-2-8(12)3-5-9/h2-7H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole?
2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole has a molecular weight of 244.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)tetrazole is sourced from PubChem (CID 23723019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).