2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium

C29H20F2N3S+ — CID 90810981

IUPAC2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium
SMILESFc1cccc(-c2nc3cc[n+](Cc4ccc(-c5ccc(-c6cccs6)cc5)cc4)cc3[nH]2)c1F
InChIInChI=1S/C29H19F2N3S/c30-24-4-1-3-23(28(24)31)29-32-25-14-15-34(18-26(25)33-29)17-19-6-8-20(9-7-19)21-10-12-22(13-11-21)27-5-2-16-35-27/h1-16,18H,17H2/p+1
InChIKeyGAABNSYPXLCZPR-UHFFFAOYSA-O
MW480.56 g/mol
LogP7.24
Rot. Bonds5

About 2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium

2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium (PubChem CID 90810981) has the molecular formula C29H20F2N3S+ and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium
PubChem CID90810981
Molecular FormulaC29H20F2N3S+
Molecular Weight480.56 g/mol
Exact Mass480.13
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium
SMILESFc1cccc(-c2nc3cc[n+](Cc4ccc(-c5ccc(-c6cccs6)cc5)cc4)cc3[nH]2)c1F
InChIInChI=1S/C29H19F2N3S/c30-24-4-1-3-23(28(24)31)29-32-25-14-15-34(18-26(25)33-29)17-19-6-8-20(9-7-19)21-10-12-22(13-11-21)27-5-2-16-35-27/h1-16,18H,17H2/p+1
InChIKeyGAABNSYPXLCZPR-UHFFFAOYSA-O
XLogP7.24
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 6538803
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CID 44546167
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-2-sulfonamide
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2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
6-(thiophen-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538802
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
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CID 53320547
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-2-amine
CID 164627693
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
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2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(4-thiophen-3-ylphenyl)methyl]purine-2,6-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium (CID 90810981) is 2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium is Fc1cccc(-c2nc3cc[n+](Cc4ccc(-c5ccc(-c6cccs6)cc5)cc4)cc3[nH]2)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium?
The InChIKey is GAABNSYPXLCZPR-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H19F2N3S/c30-24-4-1-3-23(28(24)31)29-32-25-14-15-34(18-26(25)33-29)17-19-6-8-20(9-7-19)21-10-12-22(13-11-21)27-5-2-16-35-27/h1-16,18H,17H2/p+1.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium?
2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium has a molecular weight of 480.56 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-5-[[4-(4-thiophen-2-ylphenyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 90810981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).