N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

C18H21F2N3O — CID 154787329

IUPACN-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESCc1nc2c(n1CC(=O)NCCc1c(F)cccc1F)CCCC2
InChIInChI=1S/C18H21F2N3O/c1-12-22-16-7-2-3-8-17(16)23(12)11-18(24)21-10-9-13-14(19)5-4-6-15(13)20/h4-6H,2-3,7-11H2,1H3,(H,21,24)
InChIKeyCMCYHDHNCWEIIL-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (PubChem CID 154787329) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
PubChem CID154787329
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESCc1nc2c(n1CC(=O)NCCc1c(F)cccc1F)CCCC2
InChIInChI=1S/C18H21F2N3O/c1-12-22-16-7-2-3-8-17(16)23(12)11-18(24)21-10-9-13-14(19)5-4-6-15(13)20/h4-6H,2-3,7-11H2,1H3,(H,21,24)
InChIKeyCMCYHDHNCWEIIL-UHFFFAOYSA-N
XLogP2.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide 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 N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (CID 154787329) is N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is Cc1nc2c(n1CC(=O)NCCc1c(F)cccc1F)CCCC2.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The InChIKey is CMCYHDHNCWEIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-12-22-16-7-2-3-8-17(16)23(12)11-18(24)21-10-9-13-14(19)5-4-6-15(13)20/h4-6H,2-3,7-11H2,1H3,(H,21,24).
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide has a molecular weight of 333.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 154787329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).