2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C24H18Cl2F3N5O2 — CID 56968481

About 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56968481) has the molecular formula C24H18Cl2F3N5O2 and a molecular weight of 536.34 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
• PubChem CID: 56968481
• Molecular Formula: C24H18Cl2F3N5O2
• Molecular Weight: 536.34 g/mol
• Exact Mass: 535.08
• IUPAC Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
• SMILES: CC1(C)Cc2c(c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1
• InChI: InChI=1S/C24H18Cl2F3N5O2/c1-23(2)8-14-18-17(32-22(33-18)34-19-15(25)9-30-10-16(19)26)7-13(20(14)36-23)21(35)31-12-5-3-11(4-6-12)24(27,28)29/h3-7,9-10H,8H2,1-2H3,(H,31,35)(H2,30,32,33,34)
• InChIKey: LOFSBHHVAQHBFQ-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 91.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.34
LogP ≤ 5	6.99
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]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56968481) is 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1.

What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

The InChIKey is LOFSBHHVAQHBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2F3N5O2/c1-23(2)8-14-18-17(32-22(33-18)34-19-15(25)9-30-10-16(19)26)7-13(20(14)36-23)21(35)31-12-5-3-11(4-6-12)24(27,28)29/h3-7,9-10H,8H2,1-2H3,(H,31,35)(H2,30,32,33,34).

What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 536.34 g/mol, XLogP of 6.99, 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]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56968481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).