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

C20H14F2N4OS — CID 25177360

IUPAC2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide
SMILESCc1sc(-c2cnc[nH]2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C20H14F2N4OS/c1-11-13(7-17(28-11)16-9-23-10-25-16)12-5-6-18(24-8-12)26-20(27)19-14(21)3-2-4-15(19)22/h2-10H,1H3,(H,23,25)(H,24,26,27)
InChIKeyCWWQOUQSQZPZAN-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.04
Rot. Bonds4

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

2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide (PubChem CID 25177360) has the molecular formula C20H14F2N4OS and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide
PubChem CID25177360
Molecular FormulaC20H14F2N4OS
Molecular Weight396.42 g/mol
Exact Mass396.09
IUPAC Name2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide
SMILESCc1sc(-c2cnc[nH]2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C20H14F2N4OS/c1-11-13(7-17(28-11)16-9-23-10-25-16)12-5-6-18(24-8-12)26-20(27)19-14(21)3-2-4-15(19)22/h2-10H,1H3,(H,23,25)(H,24,26,27)
InChIKeyCWWQOUQSQZPZAN-UHFFFAOYSA-N
XLogP5.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-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-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide (CID 25177360) is 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide is Cc1sc(-c2cnc[nH]2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide?
The InChIKey is CWWQOUQSQZPZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OS/c1-11-13(7-17(28-11)16-9-23-10-25-16)12-5-6-18(24-8-12)26-20(27)19-14(21)3-2-4-15(19)22/h2-10H,1H3,(H,23,25)(H,24,26,27).
What are the key properties of 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 5.04, 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-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 25177360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).