3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide

C19H19F2N3O2 — CID 155533645

IUPAC3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1c(F)cccc1F
InChIInChI=1S/C19H19F2N3O2/c1-11(18-13(20)5-4-6-14(18)21)9-17(25)22-12-7-8-15-16(10-12)24(3)19(26)23(15)2/h4-8,10-11H,9H2,1-3H3,(H,22,25)
InChIKeyWXPSCWGHLSBRSO-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.29
Rot. Bonds4

About 3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide

3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide (PubChem CID 155533645) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide
PubChem CID155533645
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1c(F)cccc1F
InChIInChI=1S/C19H19F2N3O2/c1-11(18-13(20)5-4-6-14(18)21)9-17(25)22-12-7-8-15-16(10-12)24(3)19(26)23(15)2/h4-8,10-11H,9H2,1-3H3,(H,22,25)
InChIKeyWXPSCWGHLSBRSO-UHFFFAOYSA-N
XLogP3.29
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide (CID 155533645) is 3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide is CC(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide?
The InChIKey is WXPSCWGHLSBRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-11(18-13(20)5-4-6-14(18)21)9-17(25)22-12-7-8-15-16(10-12)24(3)19(26)23(15)2/h4-8,10-11H,9H2,1-3H3,(H,22,25).
What are the key properties of 3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide?
3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide has a molecular weight of 359.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 155533645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).