N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

C18H19N3O2 — CID 110772643

IUPACN-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C18H19N3O2/c1-11-4-7-17(23-3)16(8-11)21-18(22)10-13-5-6-14-15(9-13)20-12(2)19-14/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyJEXIIVAPJKTDFU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.37
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 110772643) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID110772643
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C18H19N3O2/c1-11-4-7-17(23-3)16(8-11)21-18(22)10-13-5-6-14-15(9-13)20-12(2)19-14/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyJEXIIVAPJKTDFU-UHFFFAOYSA-N
XLogP3.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 136890158
N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746512
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110422441
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide
CID 90653335
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
2-(3H-benzimidazol-5-yl)-N-(2-methoxyphenyl)acetamide
CID 110772471
N-(2-methoxy-5-methylphenyl)-2-nitroacetamide
CID 21322087
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 110772643) is N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is COc1ccc(C)cc1NC(=O)Cc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is JEXIIVAPJKTDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-4-7-17(23-3)16(8-11)21-18(22)10-13-5-6-14-15(9-13)20-12(2)19-14/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 110772643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).