N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide

C25H25N3O4 — CID 4880410

IUPACN-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(COc3ccc(C)cc3)nc3ccccc32)c1
InChIInChI=1S/C25H25N3O4/c1-17-8-10-18(11-9-17)32-16-24-26-20-6-4-5-7-22(20)28(24)15-25(29)27-21-14-19(30-2)12-13-23(21)31-3/h4-14H,15-16H2,1-3H3,(H,27,29)
InChIKeyPHXPCEHNMWTYNN-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.58
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide (PubChem CID 4880410) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
PubChem CID4880410
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(COc3ccc(C)cc3)nc3ccccc32)c1
InChIInChI=1S/C25H25N3O4/c1-17-8-10-18(11-9-17)32-16-24-26-20-6-4-5-7-22(20)28(24)15-25(29)27-21-14-19(30-2)12-13-23(21)31-3/h4-14H,15-16H2,1-3H3,(H,27,29)
InChIKeyPHXPCEHNMWTYNN-UHFFFAOYSA-N
XLogP4.58
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-[(3-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 134051104
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157477
2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
CID 1153614
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17032131
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide
CID 17032112
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide (CID 4880410) is N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2c(COc3ccc(C)cc3)nc3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is PHXPCEHNMWTYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17-8-10-18(11-9-17)32-16-24-26-20-6-4-5-7-22(20)28(24)15-25(29)27-21-14-19(30-2)12-13-23(21)31-3/h4-14H,15-16H2,1-3H3,(H,27,29).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 431.49 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4880410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).