3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine

C62H49BrF4N12 — CID 162106068

IUPAC3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine
SMILESCc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(Br)n3c2)n1.Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(N=C(c4ccccc4)c4ccccc4)n3c2)n1.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24F2N6.C18H14BrF2N5.C13H11N/c1-21-9-8-14-25(36-21)30-31(38(20-35-30)19-26(32)33)24-15-16-27-34-17-28(39(27)18-24)37-29(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-11-3-2-4-13(24-11)17-18(25(10-23-17)9-15(20)21)12-5-6-16-22-7-14(19)26(16)8-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-18,20,26H,19H2,1H3;2-8,10,15H,9H2,1H3;1-10,14H
InChIKeyZFNJDNOEVRGECC-UHFFFAOYSA-N
MW1118.05 g/mol
LogP14.70
Rot. Bonds13

About 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine

3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine (PubChem CID 162106068) has the molecular formula C62H49BrF4N12 and a molecular weight of 1118.05 g/mol. Its IUPAC name is 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine.

Molecular Properties

Compound Name3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine
PubChem CID162106068
Molecular FormulaC62H49BrF4N12
Molecular Weight1118.05 g/mol
Exact Mass1116.33
IUPAC Name3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine
SMILESCc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(Br)n3c2)n1.Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(N=C(c4ccccc4)c4ccccc4)n3c2)n1.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24F2N6.C18H14BrF2N5.C13H11N/c1-21-9-8-14-25(36-21)30-31(38(20-35-30)19-26(32)33)24-15-16-27-34-17-28(39(27)18-24)37-29(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-11-3-2-4-13(24-11)17-18(25(10-23-17)9-15(20)21)12-5-6-16-22-7-14(19)26(16)8-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-18,20,26H,19H2,1H3;2-8,10,15H,9H2,1H3;1-10,14H
InChIKeyZFNJDNOEVRGECC-UHFFFAOYSA-N
XLogP14.70
TPSA132.23 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001118.05
LogP ≤ 514.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine?
The IUPAC name of 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine (CID 162106068) is 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine.
What is the SMILES notation for 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine?
The canonical SMILES for 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine is Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(Br)n3c2)n1.Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(N=C(c4ccccc4)c4ccccc4)n3c2)n1.[H]N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine?
The InChIKey is ZFNJDNOEVRGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N6.C18H14BrF2N5.C13H11N/c1-21-9-8-14-25(36-21)30-31(38(20-35-30)19-26(32)33)24-15-16-27-34-17-28(39(27)18-24)37-29(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-11-3-2-4-13(24-11)17-18(25(10-23-17)9-15(20)21)12-5-6-16-22-7-14(19)26(16)8-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-18,20,26H,19H2,1H3;2-8,10,15H,9H2,1H3;1-10,14H.
What are the key properties of 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine?
3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine has a molecular weight of 1118.05 g/mol, XLogP of 14.70, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridine;N-[6-[3-(2,2-difluoroethyl)-5-(6-methyl-2-pyridinyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,1-diphenylmethanimine;diphenylmethanimine is sourced from PubChem (CID 162106068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).