2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide

C20H21N3O3 — CID 47825848

IUPAC2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C20H21N3O3/c1-25-17-6-3-2-5-13(17)11-19(24)21-14-8-9-15-16(12-14)23-20(22-15)18-7-4-10-26-18/h2-3,5-6,8-9,12,18H,4,7,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyXKBKYBIMWWSLAD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.60
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide

2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 47825848) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
PubChem CID47825848
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C20H21N3O3/c1-25-17-6-3-2-5-13(17)11-19(24)21-14-8-9-15-16(12-14)23-20(22-15)18-7-4-10-26-18/h2-3,5-6,8-9,12,18H,4,7,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyXKBKYBIMWWSLAD-UHFFFAOYSA-N
XLogP3.60
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825850
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
4-amino-3-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 120595805
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
3-(1,3-dioxoisoindol-2-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825937
2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
CID 119860409
2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47826024
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754121
2-(2,4-dichlorophenoxy)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754120
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119860413

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide (CID 47825848) is 2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide is COc1ccccc1CC(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is XKBKYBIMWWSLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-17-6-3-2-5-13(17)11-19(24)21-14-8-9-15-16(12-14)23-20(22-15)18-7-4-10-26-18/h2-3,5-6,8-9,12,18H,4,7,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 47825848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).