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

C20H17N3O3 — CID 3245536

IUPACN-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21
InChIInChI=1S/C20H17N3O3/c1-25-19-7-3-2-6-18(19)23-13-22-16-11-14(8-9-17(16)23)20(24)21-12-15-5-4-10-26-15/h2-11,13H,12H2,1H3,(H,21,24)
InChIKeyPOASNGUOZPGIOK-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.56
Rot. Bonds5

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

N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide (PubChem CID 3245536) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide
PubChem CID3245536
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21
InChIInChI=1S/C20H17N3O3/c1-25-19-7-3-2-6-18(19)23-13-22-16-11-14(8-9-17(16)23)20(24)21-12-15-5-4-10-26-15/h2-11,13H,12H2,1H3,(H,21,24)
InChIKeyPOASNGUOZPGIOK-UHFFFAOYSA-N
XLogP3.56
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide (CID 3245536) is N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide is COc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide?
The InChIKey is POASNGUOZPGIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-19-7-3-2-6-18(19)23-13-22-16-11-14(8-9-17(16)23)20(24)21-12-15-5-4-10-26-15/h2-11,13H,12H2,1H3,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide?
N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3245536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).