2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide

C26H29N3O3 — CID 44561004

IUPAC2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2Cc2ccco2)cc1
InChIInChI=1S/C26H29N3O3/c1-4-28(5-2)26(30)20-11-14-24-23(17-20)27-25(29(24)18-22-8-7-15-32-22)16-19-9-12-21(13-10-19)31-6-3/h7-15,17H,4-6,16,18H2,1-3H3
InChIKeyOVKOMSNTGWCNNR-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.15
Rot. Bonds9

About 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide

2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 44561004) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID44561004
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2Cc2ccco2)cc1
InChIInChI=1S/C26H29N3O3/c1-4-28(5-2)26(30)20-11-14-24-23(17-20)27-25(29(24)18-22-8-7-15-32-22)16-19-9-12-21(13-10-19)31-6-3/h7-15,17H,4-6,16,18H2,1-3H3
InChIKeyOVKOMSNTGWCNNR-UHFFFAOYSA-N
XLogP5.15
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide (CID 44561004) is 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide is CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2Cc2ccco2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is OVKOMSNTGWCNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-4-28(5-2)26(30)20-11-14-24-23(17-20)27-25(29(24)18-22-8-7-15-32-22)16-19-9-12-21(13-10-19)31-6-3/h7-15,17H,4-6,16,18H2,1-3H3.
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide?
2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(furan-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 44561004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).