2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C24H18Cl2F2N4O2 — CID 56970017

IUPAC2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3c(F)cccc3F)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
InChIInChI=1S/C24H18Cl2F2N4O2/c1-24(2)10-12-18-17(29-23(31-18)32-19-13(25)5-3-6-14(19)26)9-11(21(12)34-24)22(33)30-20-15(27)7-4-8-16(20)28/h3-9H,10H2,1-2H3,(H,30,33)(H2,29,31,32)
InChIKeyOWWGNLVYRPJIMB-UHFFFAOYSA-N
MW503.34 g/mol
LogP6.86
Rot. Bonds4

About 2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56970017) has the molecular formula C24H18Cl2F2N4O2 and a molecular weight of 503.34 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56970017
Molecular FormulaC24H18Cl2F2N4O2
Molecular Weight503.34 g/mol
Exact Mass502.08
IUPAC Name2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3c(F)cccc3F)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
InChIInChI=1S/C24H18Cl2F2N4O2/c1-24(2)10-12-18-17(29-23(31-18)32-19-13(25)5-3-6-14(19)26)9-11(21(12)34-24)22(33)30-20-15(27)7-4-8-16(20)28/h3-9H,10H2,1-2H3,(H,30,33)(H2,29,31,32)
InChIKeyOWWGNLVYRPJIMB-UHFFFAOYSA-N
XLogP6.86
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.34
LogP ≤ 56.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide 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-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56970017) is 2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)Nc3c(F)cccc3F)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is OWWGNLVYRPJIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2F2N4O2/c1-24(2)10-12-18-17(29-23(31-18)32-19-13(25)5-3-6-14(19)26)9-11(21(12)34-24)22(33)30-20-15(27)7-4-8-16(20)28/h3-9H,10H2,1-2H3,(H,30,33)(H2,29,31,32).
What are the key properties of 2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 503.34 g/mol, XLogP of 6.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56970017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).