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

C23H14Cl2F3N5O2 — CID 56968927

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

2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56968927) has the molecular formula C23H14Cl2F3N5O2 and a molecular weight of 520.30 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide
• PubChem CID: 56968927
• Molecular Formula: C23H14Cl2F3N5O2
• Molecular Weight: 520.30 g/mol
• Exact Mass: 519.05
• IUPAC Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide
• SMILES: Cc1cc2c(o1)c(C(=O)Nc1ccc(C(F)(F)F)cc1)cc1[nH]c(Nc3c(Cl)cncc3Cl)nc12
• InChI: InChI=1S/C23H14Cl2F3N5O2/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/h2-9H,1H3,(H,30,34)(H2,29,31,32,33)
• InChIKey: RHXLFYLMFDIDOS-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 95.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.30
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide (CID 56968927) is 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-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]-3H-furo[3,2-e]benzimidazole-5-carboxamide?

The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide is Cc1cc2c(o1)c(C(=O)Nc1ccc(C(F)(F)F)cc1)cc1[nH]c(Nc3c(Cl)cncc3Cl)nc12.

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

The InChIKey is RHXLFYLMFDIDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F3N5O2/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/h2-9H,1H3,(H,30,34)(H2,29,31,32,33).

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

2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 520.30 g/mol, XLogP of 7.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 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]-3H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56968927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).