N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide

C17H17N3O3 — CID 110721809

IUPACN-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)c1
InChIInChI=1S/C17H17N3O3/c1-11-4-3-5-13(8-11)23-10-16(21)18-12-6-7-15-14(9-12)19-17(22)20(15)2/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCVDWKRINLURSBW-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.19
Rot. Bonds4

About N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide

N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 110721809) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide
PubChem CID110721809
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)c1
InChIInChI=1S/C17H17N3O3/c1-11-4-3-5-13(8-11)23-10-16(21)18-12-6-7-15-14(9-12)19-17(22)20(15)2/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCVDWKRINLURSBW-UHFFFAOYSA-N
XLogP2.19
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
CID 110721724
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-2-(3-methylphenoxy)acetamide
CID 110668350
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662124
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 97007174
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110721777
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
2-(3-methylphenoxy)-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide
CID 86872676
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(3-methylphenoxy)acetamide
CID 110667031

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide (CID 110721809) is N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)c1.
What is the InChIKey of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is CVDWKRINLURSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-4-3-5-13(8-11)23-10-16(21)18-12-6-7-15-14(9-12)19-17(22)20(15)2/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide?
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 110721809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).