2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C24H21ClFN5O2 — CID 69473972

IUPAC2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3[nH]c(Nc4c(F)cccc4Cl)nc3c3c2OC(C)(C)C3)cn1
InChIInChI=1S/C24H21ClFN5O2/c1-12-7-8-13(11-27-12)28-22(32)14-9-18-19(15-10-24(2,3)33-21(14)15)30-23(29-18)31-20-16(25)5-4-6-17(20)26/h4-9,11H,10H2,1-3H3,(H,28,32)(H2,29,30,31)
InChIKeyNQFMKMMDYVFIPF-UHFFFAOYSA-N
MW465.92 g/mol
LogP5.77
Rot. Bonds4

About 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 69473972) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID69473972
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Name2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3[nH]c(Nc4c(F)cccc4Cl)nc3c3c2OC(C)(C)C3)cn1
InChIInChI=1S/C24H21ClFN5O2/c1-12-7-8-13(11-27-12)28-22(32)14-9-18-19(15-10-24(2,3)33-21(14)15)30-23(29-18)31-20-16(25)5-4-6-17(20)26/h4-9,11H,10H2,1-3H3,(H,28,32)(H2,29,30,31)
InChIKeyNQFMKMMDYVFIPF-UHFFFAOYSA-N
XLogP5.77
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.92
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-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-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 69473972) is 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2cc3[nH]c(Nc4c(F)cccc4Cl)nc3c3c2OC(C)(C)C3)cn1.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is NQFMKMMDYVFIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-12-7-8-13(11-27-12)28-22(32)14-9-18-19(15-10-24(2,3)33-21(14)15)30-23(29-18)31-20-16(25)5-4-6-17(20)26/h4-9,11H,10H2,1-3H3,(H,28,32)(H2,29,30,31).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 465.92 g/mol, XLogP of 5.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 69473972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).