2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole

C10H7BrF2N4 — CID 134400664

IUPAC2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole
SMILESFc1ccc(N2CCn3nc(Br)nc32)cc1F
InChIInChI=1S/C10H7BrF2N4/c11-9-14-10-16(3-4-17(10)15-9)6-1-2-7(12)8(13)5-6/h1-2,5H,3-4H2
InChIKeyVENDVBQEOQNPIQ-UHFFFAOYSA-N
MW301.09 g/mol
LogP2.47
Rot. Bonds1

About 2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole

2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole (PubChem CID 134400664) has the molecular formula C10H7BrF2N4 and a molecular weight of 301.09 g/mol. Its IUPAC name is 2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole
PubChem CID134400664
Molecular FormulaC10H7BrF2N4
Molecular Weight301.09 g/mol
Exact Mass299.98
IUPAC Name2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole
SMILESFc1ccc(N2CCn3nc(Br)nc32)cc1F
InChIInChI=1S/C10H7BrF2N4/c11-9-14-10-16(3-4-17(10)15-9)6-1-2-7(12)8(13)5-6/h1-2,5H,3-4H2
InChIKeyVENDVBQEOQNPIQ-UHFFFAOYSA-N
XLogP2.47
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 134400456
4-(3,4-difluorophenyl)-2-[[4-(4-methyltriazol-1-yl)phenyl]methyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 160847962
2-bromo-9-(3,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine
CID 142606898
N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 134415360
N-[(1R,5S)-3-(2-chloro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 146306631
3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 63788910
2-[[(1S,5R)-3-(6-chloropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]methyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 158335669
4-(3,4-difluorophenyl)-2-[[(1S,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a][1,3]diazepine
CID 159119398
4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 134415313
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 134415348
1-(3,4-difluorophenyl)-1,3-diazinan-2-one
CID 115370833
4-bromo-1-(3,4-difluorophenyl)pyrazole
CID 66521494

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole (CID 134400664) is 2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole is Fc1ccc(N2CCn3nc(Br)nc32)cc1F.
What is the InChIKey of 2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole?
The InChIKey is VENDVBQEOQNPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N4/c11-9-14-10-16(3-4-17(10)15-9)6-1-2-7(12)8(13)5-6/h1-2,5H,3-4H2.
What are the key properties of 2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole?
2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole has a molecular weight of 301.09 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 134400664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).