2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide

C24H23N3O3 — CID 168554991

IUPAC2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
SMILESCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C24H23N3O3/c1-29-22-15-18(24-26-19-9-5-6-10-20(19)27-24)11-12-21(22)30-16-23(28)25-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyBPRBGXSHYBWQRO-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.98
Rot. Bonds8

About 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide

2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide (PubChem CID 168554991) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
PubChem CID168554991
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
SMILESCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C24H23N3O3/c1-29-22-15-18(24-26-19-9-5-6-10-20(19)27-24)11-12-21(22)30-16-23(28)25-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyBPRBGXSHYBWQRO-UHFFFAOYSA-N
XLogP3.98
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 168552478
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 168554153
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2091179
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide
CID 17093159
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298653
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide (CID 168554991) is 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide is COc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide?
The InChIKey is BPRBGXSHYBWQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-29-22-15-18(24-26-19-9-5-6-10-20(19)27-24)11-12-21(22)30-16-23(28)25-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide?
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 168554991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).