2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide

C24H19Cl2F3N6O2 — CID 67502798

IUPAC2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCn1c(Nc2c(Cl)cncc2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cn3)c3c(c21)CC(C)(C)O3
InChIInChI=1S/C24H19Cl2F3N6O2/c1-23(2)7-13-19-16(32-22(35(19)3)34-18-14(25)9-30-10-15(18)26)6-12(20(13)37-23)21(36)33-17-5-4-11(8-31-17)24(27,28)29/h4-6,8-10H,7H2,1-3H3,(H,30,32,34)(H,31,33,36)
InChIKeyFPOUKRDPESHKDH-UHFFFAOYSA-N
MW551.36 g/mol
LogP6.40
Rot. Bonds4

About 2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide

2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67502798) has the molecular formula C24H19Cl2F3N6O2 and a molecular weight of 551.36 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID67502798
Molecular FormulaC24H19Cl2F3N6O2
Molecular Weight551.36 g/mol
Exact Mass550.09
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCn1c(Nc2c(Cl)cncc2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cn3)c3c(c21)CC(C)(C)O3
InChIInChI=1S/C24H19Cl2F3N6O2/c1-23(2)7-13-19-16(32-22(35(19)3)34-18-14(25)9-30-10-15(18)26)6-12(20(13)37-23)21(36)33-17-5-4-11(8-31-17)24(27,28)29/h4-6,8-10H,7H2,1-3H3,(H,30,32,34)(H,31,33,36)
InChIKeyFPOUKRDPESHKDH-UHFFFAOYSA-N
XLogP6.40
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.36
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-dichloro-4-pyridinyl)amino]-N-(2-fluoro-5-methylphenyl)-1,7,7-trimethyl-8H-furo[3,2-e]benzimidazole-5-carboxamide
CID 69475421
2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56970893
2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969811
2-(2,6-dichloroanilino)-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2,3,8-tetrahydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 67504003
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 20598003
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
N-(4-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 168874155
methyl 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-1,2,3,8-tetrahydrofuro[3,2-e]benzimidazole-5-carboxylate
CID 67503515
2-[(3,5-dichloro-4-pyridinyl)amino]-N-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 58506852
4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 72568758
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
CID 75508828

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide (CID 67502798) is 2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide is Cn1c(Nc2c(Cl)cncc2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cn3)c3c(c21)CC(C)(C)O3.
What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is FPOUKRDPESHKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N6O2/c1-23(2)7-13-19-16(32-22(35(19)3)34-18-14(25)9-30-10-15(18)26)6-12(20(13)37-23)21(36)33-17-5-4-11(8-31-17)24(27,28)29/h4-6,8-10H,7H2,1-3H3,(H,30,32,34)(H,31,33,36).
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide?
2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 551.36 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67502798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).