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

C23H24Cl2N4O2 — CID 56971575

IUPAC2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCCCCCCNC(=O)c1cc2[nH]c(Nc3c(Cl)cccc3Cl)nc2c2cc(C)oc12
InChIInChI=1S/C23H24Cl2N4O2/c1-3-4-5-6-10-26-22(30)15-12-18-19(14-11-13(2)31-21(14)15)28-23(27-18)29-20-16(24)8-7-9-17(20)25/h7-9,11-12H,3-6,10H2,1-2H3,(H,26,30)(H2,27,28,29)
InChIKeyZKYMDHMGBUMRDE-UHFFFAOYSA-N
MW459.38 g/mol
LogP6.98
Rot. Bonds8

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

2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56971575) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID56971575
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC Name2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCCCCCCNC(=O)c1cc2[nH]c(Nc3c(Cl)cccc3Cl)nc2c2cc(C)oc12
InChIInChI=1S/C23H24Cl2N4O2/c1-3-4-5-6-10-26-22(30)15-12-18-19(14-11-13(2)31-21(14)15)28-23(27-18)29-20-16(24)8-7-9-17(20)25/h7-9,11-12H,3-6,10H2,1-2H3,(H,26,30)(H2,27,28,29)
InChIKeyZKYMDHMGBUMRDE-UHFFFAOYSA-N
XLogP6.98
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 56.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (CID 56971575) is 2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide is CCCCCCNC(=O)c1cc2[nH]c(Nc3c(Cl)cccc3Cl)nc2c2cc(C)oc12.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is ZKYMDHMGBUMRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c1-3-4-5-6-10-26-22(30)15-12-18-19(14-11-13(2)31-21(14)15)28-23(27-18)29-20-16(24)8-7-9-17(20)25/h7-9,11-12H,3-6,10H2,1-2H3,(H,26,30)(H2,27,28,29).
What are the key properties of 2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 459.38 g/mol, XLogP of 6.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-hexyl-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56971575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).