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

C24H21Cl2N5O3 — CID 56969153

IUPAC2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c3c2OC(C)(C)C3)cn1
InChIInChI=1S/C24H21Cl2N5O3/c1-24(2)10-14-19-17(29-23(30-19)31-20-15(25)5-4-6-16(20)26)9-13(21(14)34-24)22(32)28-12-7-8-18(33-3)27-11-12/h4-9,11H,10H2,1-3H3,(H,28,32)(H2,29,30,31)
InChIKeySSBJJDLESFJTIR-UHFFFAOYSA-N
MW498.37 g/mol
LogP5.98
Rot. Bonds5

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

2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56969153) has the molecular formula C24H21Cl2N5O3 and a molecular weight of 498.37 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56969153
Molecular FormulaC24H21Cl2N5O3
Molecular Weight498.37 g/mol
Exact Mass497.10
IUPAC Name2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c3c2OC(C)(C)C3)cn1
InChIInChI=1S/C24H21Cl2N5O3/c1-24(2)10-14-19-17(29-23(30-19)31-20-15(25)5-4-6-16(20)26)9-13(21(14)34-24)22(32)28-12-7-8-18(33-3)27-11-12/h4-9,11H,10H2,1-3H3,(H,28,32)(H2,29,30,31)
InChIKeySSBJJDLESFJTIR-UHFFFAOYSA-N
XLogP5.98
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.37
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56969153) is 2-(2,6-dichloroanilino)-N-(6-methoxy-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-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is COc1ccc(NC(=O)c2cc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c3c2OC(C)(C)C3)cn1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is SSBJJDLESFJTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5O3/c1-24(2)10-14-19-17(29-23(30-19)31-20-15(25)5-4-6-16(20)26)9-13(21(14)34-24)22(32)28-12-7-8-18(33-3)27-11-12/h4-9,11H,10H2,1-3H3,(H,28,32)(H2,29,30,31).
What are the key properties of 2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 498.37 g/mol, XLogP of 5.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56969153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).