2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide

C25H34N4O2 — CID 10224082

IUPAC2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(Nc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1
InChIInChI=1S/C25H34N4O2/c1-6-28(7-2)24(30)19-9-14-23-22(17-19)27-25(29(23)16-15-18(4)5)26-20-10-12-21(13-11-20)31-8-3/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,26,27)
InChIKeyOIFJPDXHVAIHHP-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.71
Rot. Bonds10

About 2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide

2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide (PubChem CID 10224082) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide
PubChem CID10224082
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(Nc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1
InChIInChI=1S/C25H34N4O2/c1-6-28(7-2)24(30)19-9-14-23-22(17-19)27-25(29(23)16-15-18(4)5)26-20-10-12-21(13-11-20)31-8-3/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,26,27)
InChIKeyOIFJPDXHVAIHHP-UHFFFAOYSA-N
XLogP5.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide (CID 10224082) is 2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide is CCOc1ccc(Nc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The InChIKey is OIFJPDXHVAIHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-6-28(7-2)24(30)19-9-14-23-22(17-19)27-25(29(23)16-15-18(4)5)26-20-10-12-21(13-11-20)31-8-3/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,26,27).
What are the key properties of 2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide?
2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 10224082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).