2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C25H19Cl2F3N4O2 — CID 56969811

IUPAC2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3ccccc3C(F)(F)F)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
InChIInChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-13-19-18(32-23(33-19)34-20-15(26)7-5-8-16(20)27)10-12(21(13)36-24)22(35)31-17-9-4-3-6-14(17)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
InChIKeyGJBLHGKKCXJTPV-UHFFFAOYSA-N
MW535.35 g/mol
LogP7.60
Rot. Bonds4

About 2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56969811) has the molecular formula C25H19Cl2F3N4O2 and a molecular weight of 535.35 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56969811
Molecular FormulaC25H19Cl2F3N4O2
Molecular Weight535.35 g/mol
Exact Mass534.08
IUPAC Name2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3ccccc3C(F)(F)F)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
InChIInChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-13-19-18(32-23(33-19)34-20-15(26)7-5-8-16(20)27)10-12(21(13)36-24)22(35)31-17-9-4-3-6-14(17)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
InChIKeyGJBLHGKKCXJTPV-UHFFFAOYSA-N
XLogP7.60
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.35
LogP ≤ 57.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969599
2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 67503482
2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56970893
(Z)-but-2-enedioic acid;2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 67503578
2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56970655
methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate
CID 67504026
methyl 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate
CID 67503514
2-(2,6-dichloroanilino)-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2,3,8-tetrahydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 67504003
8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220619
2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 110701097
N-(3-chloro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229597
2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137973

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56969811) is 2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)Nc3ccccc3C(F)(F)F)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1.
What is the InChIKey of 2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is GJBLHGKKCXJTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-13-19-18(32-23(33-19)34-20-15(26)7-5-8-16(20)27)10-12(21(13)36-24)22(35)31-17-9-4-3-6-14(17)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34).
What are the key properties of 2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 535.35 g/mol, XLogP of 7.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56969811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).