2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C24H19Cl2FN4O2 — CID 67504414

IUPAC2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3ccc(F)cc3)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
InChIInChI=1S/C24H19Cl2FN4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)26)10-14(21(15)33-24)22(32)28-13-8-6-12(27)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31)
InChIKeyABMJQSOHAQDBHY-UHFFFAOYSA-N
MW485.35 g/mol
LogP6.72
Rot. Bonds4

About 2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67504414) has the molecular formula C24H19Cl2FN4O2 and a molecular weight of 485.35 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID67504414
Molecular FormulaC24H19Cl2FN4O2
Molecular Weight485.35 g/mol
Exact Mass484.09
IUPAC Name2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3ccc(F)cc3)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
InChIInChI=1S/C24H19Cl2FN4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)26)10-14(21(15)33-24)22(32)28-13-8-6-12(27)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31)
InChIKeyABMJQSOHAQDBHY-UHFFFAOYSA-N
XLogP6.72
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.35
LogP ≤ 56.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide with MolForge

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Related Compounds

CID 56649447
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CID 56968260
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CID 56968267
CID 56968267
CID 56968481
CID 56968481
CID 56968482
CID 56968482
CID 56968711
CID 56968711
CID 56968925
CID 56968925
CID 56968927
CID 56968927
CID 56968928
CID 56968928
CID 56969153
CID 56969153

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 67504414) is 2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)Nc3ccc(F)cc3)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is ABMJQSOHAQDBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)26)10-14(21(15)33-24)22(32)28-13-8-6-12(27)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31).
What are the key properties of 2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 485.35 g/mol, XLogP of 6.72, 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-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67504414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).