1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide

C21H19N3O3 — CID 3244934

IUPAC1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21
InChIInChI=1S/C21H19N3O3/c1-2-26-20-8-4-3-7-19(20)24-14-23-17-12-15(9-10-18(17)24)21(25)22-13-16-6-5-11-27-16/h3-12,14H,2,13H2,1H3,(H,22,25)
InChIKeyNAUHDCNNZYNCBF-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.95
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide

1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 3244934) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID3244934
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21
InChIInChI=1S/C21H19N3O3/c1-2-26-20-8-4-3-7-19(20)24-14-23-17-12-15(9-10-18(17)24)21(25)22-13-16-6-5-11-27-16/h3-12,14H,2,13H2,1H3,(H,22,25)
InChIKeyNAUHDCNNZYNCBF-UHFFFAOYSA-N
XLogP3.95
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide (CID 3244934) is 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide is CCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is NAUHDCNNZYNCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-2-26-20-8-4-3-7-19(20)24-14-23-17-12-15(9-10-18(17)24)21(25)22-13-16-6-5-11-27-16/h3-12,14H,2,13H2,1H3,(H,22,25).
What are the key properties of 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide?
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3244934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).