2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

C64H63BBr2F4N16O7 — CID 158479980

IUPAC2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCC(=O)N=C(N)N.CC(=O)Nc1nc(-c2ccc(F)cc2)c(Br)[nH]1.CC(=O)Nc1nc(-c2ccc3nccn3c2)c(-c2ccc(F)cc2)[nH]1.CC(=O)Nc1ncc(-c2ccc(F)cc2)[nH]1.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.O=C(CBr)c1ccc(F)cc1
InChIInChI=1S/C18H14FN5O.C13H17BN2O2.C11H9BrFN3O.C11H10FN3O.C8H6BrFO.C3H7N3O/c1-11(25)21-18-22-16(12-2-5-14(19)6-3-12)17(23-18)13-4-7-15-20-8-9-24(15)10-13;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-6(17)14-11-15-9(10(12)16-11)7-2-4-8(13)5-3-7;1-7(16)14-11-13-6-10(15-11)8-2-4-9(12)5-3-8;9-5-8(11)6-1-3-7(10)4-2-6;1-2(7)6-3(4)5/h2-10H,1H3,(H2,21,22,23,25);5-9H,1-4H3;2-5H,1H3,(H2,14,15,16,17);2-6H,1H3,(H2,13,14,15,16);1-4H,5H2;1H3,(H4,4,5,6,7)
InChIKeyHHKCSNVJYSVJPN-UHFFFAOYSA-N
MW1414.92 g/mol
LogP11.44
Rot. Bonds10

About 2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 158479980) has the molecular formula C64H63BBr2F4N16O7 and a molecular weight of 1414.92 g/mol. Its IUPAC name is 2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
PubChem CID158479980
Molecular FormulaC64H63BBr2F4N16O7
Molecular Weight1414.92 g/mol
Exact Mass1412.35
IUPAC Name2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCC(=O)N=C(N)N.CC(=O)Nc1nc(-c2ccc(F)cc2)c(Br)[nH]1.CC(=O)Nc1nc(-c2ccc3nccn3c2)c(-c2ccc(F)cc2)[nH]1.CC(=O)Nc1ncc(-c2ccc(F)cc2)[nH]1.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.O=C(CBr)c1ccc(F)cc1
InChIInChI=1S/C18H14FN5O.C13H17BN2O2.C11H9BrFN3O.C11H10FN3O.C8H6BrFO.C3H7N3O/c1-11(25)21-18-22-16(12-2-5-14(19)6-3-12)17(23-18)13-4-7-15-20-8-9-24(15)10-13;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-6(17)14-11-15-9(10(12)16-11)7-2-4-8(13)5-3-7;1-7(16)14-11-13-6-10(15-11)8-2-4-9(12)5-3-8;9-5-8(11)6-1-3-7(10)4-2-6;1-2(7)6-3(4)5/h2-10H,1H3,(H2,21,22,23,25);5-9H,1-4H3;2-5H,1H3,(H2,14,15,16,17);2-6H,1H3,(H2,13,14,15,16);1-4H,5H2;1H3,(H4,4,5,6,7)
InChIKeyHHKCSNVJYSVJPN-UHFFFAOYSA-N
XLogP11.44
TPSA324.94 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001414.92
LogP ≤ 511.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 158479980) is 2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is CC(=O)N=C(N)N.CC(=O)Nc1nc(-c2ccc(F)cc2)c(Br)[nH]1.CC(=O)Nc1nc(-c2ccc3nccn3c2)c(-c2ccc(F)cc2)[nH]1.CC(=O)Nc1ncc(-c2ccc(F)cc2)[nH]1.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.O=C(CBr)c1ccc(F)cc1.
What is the InChIKey of 2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is HHKCSNVJYSVJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O.C13H17BN2O2.C11H9BrFN3O.C11H10FN3O.C8H6BrFO.C3H7N3O/c1-11(25)21-18-22-16(12-2-5-14(19)6-3-12)17(23-18)13-4-7-15-20-8-9-24(15)10-13;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-6(17)14-11-15-9(10(12)16-11)7-2-4-8(13)5-3-7;1-7(16)14-11-13-6-10(15-11)8-2-4-9(12)5-3-8;9-5-8(11)6-1-3-7(10)4-2-6;1-2(7)6-3(4)5/h2-10H,1H3,(H2,21,22,23,25);5-9H,1-4H3;2-5H,1H3,(H2,14,15,16,17);2-6H,1H3,(H2,13,14,15,16);1-4H,5H2;1H3,(H4,4,5,6,7).
What are the key properties of 2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 1414.92 g/mol, XLogP of 11.44, 10 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-fluorophenyl)ethanone;N-[5-bromo-4-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;N-(diaminomethylidene)acetamide;N-[5-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-1H-imidazol-2-yl]acetamide;N-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 158479980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).