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

C20H21N3O3 — CID 3244316

IUPAC1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccccc1-n1cnc2cc(C(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C20H21N3O3/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/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,21,24)
InChIKeyOEFOROOXYLFENP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.94
Rot. Bonds5

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

1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 3244316) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID3244316
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccccc1-n1cnc2cc(C(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C20H21N3O3/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/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,21,24)
InChIKeyOEFOROOXYLFENP-UHFFFAOYSA-N
XLogP2.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide (CID 3244316) is 1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide is COc1ccccc1-n1cnc2cc(C(=O)NCC3CCCO3)ccc21.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is OEFOROOXYLFENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/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/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,21,24).
What are the key properties of 1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3244316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).