2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide

C24H17Cl2F3N4O2 — CID 67503789

IUPAC2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c3c(cc(C(=O)Nc4cccc(C(F)(F)F)c4)c2o1)NC(Nc1c(Cl)cccc1Cl)N3
InChIInChI=1S/C24H17Cl2F3N4O2/c1-11-8-14-19-18(31-23(32-19)33-20-16(25)6-3-7-17(20)26)10-15(21(14)35-11)22(34)30-13-5-2-4-12(9-13)24(27,28)29/h2-10,23,31-33H,1H3,(H,30,34)
InChIKeyLFMNRWDAQGFWQG-UHFFFAOYSA-N
MW521.33 g/mol
LogP7.55
Rot. Bonds4

About 2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67503789) has the molecular formula C24H17Cl2F3N4O2 and a molecular weight of 521.33 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID67503789
Molecular FormulaC24H17Cl2F3N4O2
Molecular Weight521.33 g/mol
Exact Mass520.07
IUPAC Name2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c3c(cc(C(=O)Nc4cccc(C(F)(F)F)c4)c2o1)NC(Nc1c(Cl)cccc1Cl)N3
InChIInChI=1S/C24H17Cl2F3N4O2/c1-11-8-14-19-18(31-23(32-19)33-20-16(25)6-3-7-17(20)26)10-15(21(14)35-11)22(34)30-13-5-2-4-12(9-13)24(27,28)29/h2-10,23,31-33H,1H3,(H,30,34)
InChIKeyLFMNRWDAQGFWQG-UHFFFAOYSA-N
XLogP7.55
TPSA78.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.33
LogP ≤ 57.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 67503381
2-(2,6-dichloroanilino)-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2,3,8-tetrahydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 67504003
(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401847
(4S)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401843
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968927
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide
CID 10020572
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide (CID 67503789) is 2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide is Cc1cc2c3c(cc(C(=O)Nc4cccc(C(F)(F)F)c4)c2o1)NC(Nc1c(Cl)cccc1Cl)N3.
What is the InChIKey of 2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is LFMNRWDAQGFWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N4O2/c1-11-8-14-19-18(31-23(32-19)33-20-16(25)6-3-7-17(20)26)10-15(21(14)35-11)22(34)30-13-5-2-4-12(9-13)24(27,28)29/h2-10,23,31-33H,1H3,(H,30,34).
What are the key properties of 2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 521.33 g/mol, XLogP of 7.55, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-7-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67503789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).