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

C23H18Cl2N4O2 — CID 67503381

IUPAC2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c3c(cc(C(=O)Nc4ccccc4)c2o1)NC(Nc1c(Cl)cccc1Cl)N3
InChIInChI=1S/C23H18Cl2N4O2/c1-12-10-14-19-18(27-23(28-19)29-20-16(24)8-5-9-17(20)25)11-15(21(14)31-12)22(30)26-13-6-3-2-4-7-13/h2-11,23,27-29H,1H3,(H,26,30)
InChIKeyLMWAWOHWLLFCAT-UHFFFAOYSA-N
MW453.33 g/mol
LogP6.53
Rot. Bonds4

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

2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67503381) has the molecular formula C23H18Cl2N4O2 and a molecular weight of 453.33 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID67503381
Molecular FormulaC23H18Cl2N4O2
Molecular Weight453.33 g/mol
Exact Mass452.08
IUPAC Name2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c3c(cc(C(=O)Nc4ccccc4)c2o1)NC(Nc1c(Cl)cccc1Cl)N3
InChIInChI=1S/C23H18Cl2N4O2/c1-12-10-14-19-18(27-23(28-19)29-20-16(24)8-5-9-17(20)25)11-15(21(14)31-12)22(30)26-13-6-3-2-4-7-13/h2-11,23,27-29H,1H3,(H,26,30)
InChIKeyLMWAWOHWLLFCAT-UHFFFAOYSA-N
XLogP6.53
TPSA78.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 56.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide (CID 67503381) is 2-(2,6-dichloroanilino)-7-methyl-N-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-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide is Cc1cc2c3c(cc(C(=O)Nc4ccccc4)c2o1)NC(Nc1c(Cl)cccc1Cl)N3.
What is the InChIKey of 2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is LMWAWOHWLLFCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O2/c1-12-10-14-19-18(27-23(28-19)29-20-16(24)8-5-9-17(20)25)11-15(21(14)31-12)22(30)26-13-6-3-2-4-7-13/h2-11,23,27-29H,1H3,(H,26,30).
What are the key properties of 2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-7-methyl-N-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 453.33 g/mol, XLogP of 6.53, 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-phenyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67503381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).