2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide

C23H16Cl2F3N5O2 — CID 67503216

About 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide

2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67503216) has the molecular formula C23H16Cl2F3N5O2 and a molecular weight of 522.31 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
• PubChem CID: 67503216
• Molecular Formula: C23H16Cl2F3N5O2
• Molecular Weight: 522.31 g/mol
• Exact Mass: 521.06
• IUPAC Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
• SMILES: Cc1cc2c3c(cc(C(=O)Nc4ccc(C(F)(F)F)cc4)c2o1)NC(Nc1c(Cl)cncc1Cl)N3
• InChI: InChI=1S/C23H16Cl2F3N5O2/c1-10-6-13-18-17(31-22(32-18)33-19-15(24)8-29-9-16(19)25)7-14(20(13)35-10)21(34)30-12-4-2-11(3-5-12)23(26,27)28/h2-9,22,31-32H,1H3,(H,29,33)(H,30,34)
• InChIKey: DJXRMDXRHGIUSU-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 91.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.31
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?

The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide (CID 67503216) is 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?

The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide is Cc1cc2c3c(cc(C(=O)Nc4ccc(C(F)(F)F)cc4)c2o1)NC(Nc1c(Cl)cncc1Cl)N3.

What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?

The InChIKey is DJXRMDXRHGIUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F3N5O2/c1-10-6-13-18-17(31-22(32-18)33-19-15(24)8-29-9-16(19)25)7-14(20(13)35-10)21(34)30-12-4-2-11(3-5-12)23(26,27)28/h2-9,22,31-32H,1H3,(H,29,33)(H,30,34).

What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?

2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 522.31 g/mol, XLogP of 6.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67503216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).