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

C25H23Cl2N5O2 — CID 56969599

IUPAC2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c3c2OC(C)(C)C3)c(C)n1
InChIInChI=1S/C25H23Cl2N5O2/c1-12-8-9-18(13(2)28-12)29-23(33)14-10-19-20(15-11-25(3,4)34-22(14)15)31-24(30-19)32-21-16(26)6-5-7-17(21)27/h5-10H,11H2,1-4H3,(H,29,33)(H2,30,31,32)
InChIKeyGSGARPMOHVPMQB-UHFFFAOYSA-N
MW496.40 g/mol
LogP6.59
Rot. Bonds4

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

2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56969599) has the molecular formula C25H23Cl2N5O2 and a molecular weight of 496.40 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56969599
Molecular FormulaC25H23Cl2N5O2
Molecular Weight496.40 g/mol
Exact Mass495.12
IUPAC Name2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c3c2OC(C)(C)C3)c(C)n1
InChIInChI=1S/C25H23Cl2N5O2/c1-12-8-9-18(13(2)28-12)29-23(33)14-10-19-20(15-11-25(3,4)34-22(14)15)31-24(30-19)32-21-16(26)6-5-7-17(21)27/h5-10H,11H2,1-4H3,(H,29,33)(H2,30,31,32)
InChIKeyGSGARPMOHVPMQB-UHFFFAOYSA-N
XLogP6.59
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.40
LogP ≤ 56.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56969599) is 2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2cc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c3c2OC(C)(C)C3)c(C)n1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is GSGARPMOHVPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O2/c1-12-8-9-18(13(2)28-12)29-23(33)14-10-19-20(15-11-25(3,4)34-22(14)15)31-24(30-19)32-21-16(26)6-5-7-17(21)27/h5-10H,11H2,1-4H3,(H,29,33)(H2,30,31,32).
What are the key properties of 2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 496.40 g/mol, XLogP of 6.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56969599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).