2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide

C25H20ClF4N5O2 — CID 56971115

IUPAC2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)nc3)c3c(c21)CC(C)(C)O3
InChIInChI=1S/C25H20ClF4N5O2/c1-24(2)10-14-20-17(33-23(35(20)3)34-19-15(26)5-4-6-16(19)27)9-13(21(14)37-24)22(36)32-12-7-8-18(31-11-12)25(28,29)30/h4-9,11H,10H2,1-3H3,(H,32,36)(H,33,34)
InChIKeyFLOKFAFOBAYOEJ-UHFFFAOYSA-N
MW533.91 g/mol
LogP6.49
Rot. Bonds4

About 2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide

2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56971115) has the molecular formula C25H20ClF4N5O2 and a molecular weight of 533.91 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID56971115
Molecular FormulaC25H20ClF4N5O2
Molecular Weight533.91 g/mol
Exact Mass533.12
IUPAC Name2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)nc3)c3c(c21)CC(C)(C)O3
InChIInChI=1S/C25H20ClF4N5O2/c1-24(2)10-14-20-17(33-23(35(20)3)34-19-15(26)5-4-6-16(19)27)9-13(21(14)37-24)22(36)32-12-7-8-18(31-11-12)25(28,29)30/h4-9,11H,10H2,1-3H3,(H,32,36)(H,33,34)
InChIKeyFLOKFAFOBAYOEJ-UHFFFAOYSA-N
XLogP6.49
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.91
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide (CID 56971115) is 2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide is Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)nc3)c3c(c21)CC(C)(C)O3.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is FLOKFAFOBAYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF4N5O2/c1-24(2)10-14-20-17(33-23(35(20)3)34-19-15(26)5-4-6-16(19)27)9-13(21(14)37-24)22(36)32-12-7-8-18(31-11-12)25(28,29)30/h4-9,11H,10H2,1-3H3,(H,32,36)(H,33,34).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide?
2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 533.91 g/mol, XLogP of 6.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56971115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).