2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide

C21H16F2N4OS — CID 91605779

IUPAC2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
SMILESCc1ncc(-c2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)c(C)s2)[nH]1
InChIInChI=1S/C21H16F2N4OS/c1-11-14(8-18(29-11)17-10-24-12(2)26-17)13-6-7-19(25-9-13)27-21(28)20-15(22)4-3-5-16(20)23/h3-10H,1-2H3,(H,24,26)(H,25,27,28)
InChIKeyQKPDQZKFTSLNPA-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.35
Rot. Bonds4

About 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide

2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide (PubChem CID 91605779) has the molecular formula C21H16F2N4OS and a molecular weight of 410.45 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
PubChem CID91605779
Molecular FormulaC21H16F2N4OS
Molecular Weight410.45 g/mol
Exact Mass410.10
IUPAC Name2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
SMILESCc1ncc(-c2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)c(C)s2)[nH]1
InChIInChI=1S/C21H16F2N4OS/c1-11-14(8-18(29-11)17-10-24-12(2)26-17)13-6-7-19(25-9-13)27-21(28)20-15(22)4-3-5-16(20)23/h3-10H,1-2H3,(H,24,26)(H,25,27,28)
InChIKeyQKPDQZKFTSLNPA-UHFFFAOYSA-N
XLogP5.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide (CID 91605779) is 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide is Cc1ncc(-c2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)c(C)s2)[nH]1.
What is the InChIKey of 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
The InChIKey is QKPDQZKFTSLNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4OS/c1-11-14(8-18(29-11)17-10-24-12(2)26-17)13-6-7-19(25-9-13)27-21(28)20-15(22)4-3-5-16(20)23/h3-10H,1-2H3,(H,24,26)(H,25,27,28).
What are the key properties of 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide has a molecular weight of 410.45 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 91605779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).