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

C24H24Cl2F2N4O2 — CID 56970021

IUPAC2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)NC3CCC(F)(F)CC3)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
InChIInChI=1S/C24H24Cl2F2N4O2/c1-23(2)11-14-18-17(30-22(31-18)32-19-15(25)4-3-5-16(19)26)10-13(20(14)34-23)21(33)29-12-6-8-24(27,28)9-7-12/h3-5,10,12H,6-9,11H2,1-2H3,(H,29,33)(H2,30,31,32)
InChIKeyDDYROGTZYDTUKM-UHFFFAOYSA-N
MW509.38 g/mol
LogP6.63
Rot. Bonds4

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

2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56970021) has the molecular formula C24H24Cl2F2N4O2 and a molecular weight of 509.38 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56970021
Molecular FormulaC24H24Cl2F2N4O2
Molecular Weight509.38 g/mol
Exact Mass508.12
IUPAC Name2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)NC3CCC(F)(F)CC3)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
InChIInChI=1S/C24H24Cl2F2N4O2/c1-23(2)11-14-18-17(30-22(31-18)32-19-15(25)4-3-5-16(19)26)10-13(20(14)34-23)21(33)29-12-6-8-24(27,28)9-7-12/h3-5,10,12H,6-9,11H2,1-2H3,(H,29,33)(H2,30,31,32)
InChIKeyDDYROGTZYDTUKM-UHFFFAOYSA-N
XLogP6.63
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.38
LogP ≤ 56.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56970021) is 2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)NC3CCC(F)(F)CC3)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is DDYROGTZYDTUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2F2N4O2/c1-23(2)11-14-18-17(30-22(31-18)32-19-15(25)4-3-5-16(19)26)10-13(20(14)34-23)21(33)29-12-6-8-24(27,28)9-7-12/h3-5,10,12H,6-9,11H2,1-2H3,(H,29,33)(H2,30,31,32).
What are the key properties of 2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 509.38 g/mol, XLogP of 6.63, 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-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56970021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).