2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C25H20ClF3N4O2 — CID 67503482

IUPAC2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4cc(F)c(F)cc4F)cc2[nH]1)OC(C)(C)C3
InChIInChI=1S/C25H20ClF3N4O2/c1-11-5-4-6-14(26)20(11)32-24-31-19-7-12(22-13(21(19)33-24)10-25(2,3)35-22)23(34)30-18-9-16(28)15(27)8-17(18)29/h4-9H,10H2,1-3H3,(H,30,34)(H2,31,32,33)
InChIKeyUIGXSKKHTQYVMH-UHFFFAOYSA-N
MW500.91 g/mol
LogP6.65
Rot. Bonds4

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

2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67503482) has the molecular formula C25H20ClF3N4O2 and a molecular weight of 500.91 g/mol. Its IUPAC name is 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID67503482
Molecular FormulaC25H20ClF3N4O2
Molecular Weight500.91 g/mol
Exact Mass500.12
IUPAC Name2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4cc(F)c(F)cc4F)cc2[nH]1)OC(C)(C)C3
InChIInChI=1S/C25H20ClF3N4O2/c1-11-5-4-6-14(26)20(11)32-24-31-19-7-12(22-13(21(19)33-24)10-25(2,3)35-22)23(34)30-18-9-16(28)15(27)8-17(18)29/h4-9H,10H2,1-3H3,(H,30,34)(H2,31,32,33)
InChIKeyUIGXSKKHTQYVMH-UHFFFAOYSA-N
XLogP6.65
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 67503482) is 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is Cc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4cc(F)c(F)cc4F)cc2[nH]1)OC(C)(C)C3.
What is the InChIKey of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is UIGXSKKHTQYVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O2/c1-11-5-4-6-14(26)20(11)32-24-31-19-7-12(22-13(21(19)33-24)10-25(2,3)35-22)23(34)30-18-9-16(28)15(27)8-17(18)29/h4-9H,10H2,1-3H3,(H,30,34)(H2,31,32,33).
What are the key properties of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 500.91 g/mol, XLogP of 6.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67503482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).