1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole

C15H12FN5 — CID 82249213

IUPAC1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole
SMILESFc1cccc(-n2nnc3ccccc32)c1C1=NCCN1
InChIInChI=1S/C15H12FN5/c16-10-4-3-7-13(14(10)15-17-8-9-18-15)21-12-6-2-1-5-11(12)19-20-21/h1-7H,8-9H2,(H,17,18)
InChIKeyPFVXLUSLQKRRIK-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.91
Rot. Bonds2

About 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole

1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole (PubChem CID 82249213) has the molecular formula C15H12FN5 and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole.

Molecular Properties

Compound Name1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole
PubChem CID82249213
Molecular FormulaC15H12FN5
Molecular Weight281.29 g/mol
Exact Mass281.11
IUPAC Name1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole
SMILESFc1cccc(-n2nnc3ccccc32)c1C1=NCCN1
InChIInChI=1S/C15H12FN5/c16-10-4-3-7-13(14(10)15-17-8-9-18-15)21-12-6-2-1-5-11(12)19-20-21/h1-7H,8-9H2,(H,17,18)
InChIKeyPFVXLUSLQKRRIK-UHFFFAOYSA-N
XLogP1.91
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol
CID 114065329
1-(2-pyrrolidin-2-yl-3-pyridinyl)benzotriazole
CID 166960926
2-(benzotriazol-1-yl)-4,6-difluoroaniline
CID 113325367
1-(2-ethyl-3-methylphenyl)benzotriazole
CID 167170064
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride
CID 57391909
3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 82246799
1-(2-methoxyphenyl)benzotriazole
CID 53415460
2-(benzotriazol-1-yl)-4-fluoroaniline
CID 62376112
2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
2-(benzotriazol-1-yl)-4,5-dihydro-1,3-oxazole
CID 57191720
1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine
CID 63816562
[4-(benzotriazol-1-yl)-5-fluoropyrazol-1-yl] thiohypofluorite
CID 139501619

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole?
The IUPAC name of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole (CID 82249213) is 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole.
What is the SMILES notation for 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole?
The canonical SMILES for 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole is Fc1cccc(-n2nnc3ccccc32)c1C1=NCCN1.
What is the InChIKey of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole?
The InChIKey is PFVXLUSLQKRRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5/c16-10-4-3-7-13(14(10)15-17-8-9-18-15)21-12-6-2-1-5-11(12)19-20-21/h1-7H,8-9H2,(H,17,18).
What are the key properties of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole?
1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole has a molecular weight of 281.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole is sourced from PubChem (CID 82249213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).