(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine

C26H20FN3O — CID 153464773

IUPAC(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine
SMILESCc1ccc2c(oc3cc(F)ccc32)c1N1c2ncccc2N(c2ccccc2)[C@@H]1C
InChIInChI=1S/C26H20FN3O/c1-16-10-12-21-20-13-11-18(27)15-23(20)31-25(21)24(16)30-17(2)29(19-7-4-3-5-8-19)22-9-6-14-28-26(22)30/h3-15,17H,1-2H3/t17-/m0/s1
InChIKeyMEEHXKUMESHWFN-KRWDZBQOSA-N
MW409.46 g/mol
LogP7.06
Rot. Bonds2

About (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine

(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine (PubChem CID 153464773) has the molecular formula C26H20FN3O and a molecular weight of 409.46 g/mol. Its IUPAC name is (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine
PubChem CID153464773
Molecular FormulaC26H20FN3O
Molecular Weight409.46 g/mol
Exact Mass409.16
IUPAC Name(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine
SMILESCc1ccc2c(oc3cc(F)ccc32)c1N1c2ncccc2N(c2ccccc2)[C@@H]1C
InChIInChI=1S/C26H20FN3O/c1-16-10-12-21-20-13-11-18(27)15-23(20)31-25(21)24(16)30-17(2)29(19-7-4-3-5-8-19)22-9-6-14-28-26(22)30/h3-15,17H,1-2H3/t17-/m0/s1
InChIKeyMEEHXKUMESHWFN-KRWDZBQOSA-N
XLogP7.06
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Etofuradine
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2-[3-[1-Benzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
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1-(1-Benzofuran-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141737653
3-[3-(1-Benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
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6-(1-benzofuran-2-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazin-2-amine
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1-[6-(1-Benzofuran-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
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3-(1-Benzofuran-6-yl)-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine
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4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide
CID 177376551
7-fluoro-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 47037141
4-(1-benzofuran-7-yl)-1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-1-methylpiperazin-1-ium
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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine?
The IUPAC name of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine (CID 153464773) is (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine is Cc1ccc2c(oc3cc(F)ccc32)c1N1c2ncccc2N(c2ccccc2)[C@@H]1C.
What is the InChIKey of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine?
The InChIKey is MEEHXKUMESHWFN-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H20FN3O/c1-16-10-12-21-20-13-11-18(27)15-23(20)31-25(21)24(16)30-17(2)29(19-7-4-3-5-8-19)22-9-6-14-28-26(22)30/h3-15,17H,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine?
(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine has a molecular weight of 409.46 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 153464773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).