methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate

C18H17N3O4 — CID 166393940

IUPACmethyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)Cc2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C18H17N3O4/c1-24-18(23)10-25-14-4-2-3-13(9-14)21-17(22)8-12-5-6-15-16(7-12)20-11-19-15/h2-7,9,11H,8,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyZPBMHGUYXMQCPE-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.30
Rot. Bonds6

About methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate

methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate (PubChem CID 166393940) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate
PubChem CID166393940
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namemethyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)Cc2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C18H17N3O4/c1-24-18(23)10-25-14-4-2-3-13(9-14)21-17(22)8-12-5-6-15-16(7-12)20-11-19-15/h2-7,9,11H,8,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyZPBMHGUYXMQCPE-UHFFFAOYSA-N
XLogP2.30
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
2-(3H-benzimidazol-5-yl)-N-(2-methoxyphenyl)acetamide
CID 110772471
1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
CID 108869161
methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883
2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110772495
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 110724326
methyl 2-[3-(pent-4-ynoylamino)phenoxy]acetate
CID 114028678
methyl 2-[3-[4-(methylamino)butanoylamino]phenoxy]acetate
CID 119713738
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
CID 119713774
methyl 2-[3H-benzimidazol-5-ylmethyl(methyl)amino]acetate
CID 115232977

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate (CID 166393940) is methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)Cc2ccc3nc[nH]c3c2)c1.
What is the InChIKey of methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate?
The InChIKey is ZPBMHGUYXMQCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-18(23)10-25-14-4-2-3-13(9-14)21-17(22)8-12-5-6-15-16(7-12)20-11-19-15/h2-7,9,11H,8,10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate?
methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate has a molecular weight of 339.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 166393940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).