2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C25H20ClF3N4O2 — CID 56970655

IUPAC2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4c(F)cc(F)cc4F)cc2[nH]1)OC(C)(C)C3
InChIInChI=1S/C25H20ClF3N4O2/c1-11-5-4-6-15(26)19(11)32-24-30-18-9-13(22-14(20(18)33-24)10-25(2,3)35-22)23(34)31-21-16(28)7-12(27)8-17(21)29/h4-9H,10H2,1-3H3,(H,31,34)(H2,30,32,33)
InChIKeyARRKDPFNOPHUJV-UHFFFAOYSA-N
MW500.91 g/mol
LogP6.65
Rot. Bonds4

About 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56970655) has the molecular formula C25H20ClF3N4O2 and a molecular weight of 500.91 g/mol. Its IUPAC name is 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56970655
Molecular FormulaC25H20ClF3N4O2
Molecular Weight500.91 g/mol
Exact Mass500.12
IUPAC Name2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4c(F)cc(F)cc4F)cc2[nH]1)OC(C)(C)C3
InChIInChI=1S/C25H20ClF3N4O2/c1-11-5-4-6-15(26)19(11)32-24-30-18-9-13(22-14(20(18)33-24)10-25(2,3)35-22)23(34)31-21-16(28)7-12(27)8-17(21)29/h4-9H,10H2,1-3H3,(H,31,34)(H2,30,32,33)
InChIKeyARRKDPFNOPHUJV-UHFFFAOYSA-N
XLogP6.65
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969811
(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
methyl 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate
CID 67503514
methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate
CID 67504026
N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
CID 67504376
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
methyl 7-(2,6-dichloroanilino)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxylate
CID 67503962
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145
2-(2,6-dichloroanilino)-6-fluoro-N-(1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-1H-benzimidazole-5-carboxamide
CID 45137301

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56970655) is 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is Cc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4c(F)cc(F)cc4F)cc2[nH]1)OC(C)(C)C3.
What is the InChIKey of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is ARRKDPFNOPHUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O2/c1-11-5-4-6-15(26)19(11)32-24-30-18-9-13(22-14(20(18)33-24)10-25(2,3)35-22)23(34)31-21-16(28)7-12(27)8-17(21)29/h4-9H,10H2,1-3H3,(H,31,34)(H2,30,32,33).
What are the key properties of 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 500.91 g/mol, XLogP of 6.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56970655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).