N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide

C17H17N3O2 — CID 110866861

IUPACN-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N(C)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H17N3O2/c1-12-3-6-14(7-4-12)22-10-17(21)20(2)13-5-8-15-16(9-13)19-11-18-15/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeyDEYXNQCCHIQZQA-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.91
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide

N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide (PubChem CID 110866861) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide
PubChem CID110866861
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N(C)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H17N3O2/c1-12-3-6-14(7-4-12)22-10-17(21)20(2)13-5-8-15-16(9-13)19-11-18-15/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeyDEYXNQCCHIQZQA-UHFFFAOYSA-N
XLogP2.91
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide
CID 110869221
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 110724326
2-[3H-benzimidazol-5-yl(methyl)amino]-2-oxoacetic acid
CID 115141264
N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide
CID 115158786
N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide
CID 110869220
3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
CID 115160757
N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159458
2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
CID 115216158
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 43376460
N-methoxy-N-methyl-2-(4-methylphenoxy)acetamide
CID 59178255
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide (CID 110866861) is N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N(C)c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide?
The InChIKey is DEYXNQCCHIQZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-3-6-14(7-4-12)22-10-17(21)20(2)13-5-8-15-16(9-13)19-11-18-15/h3-9,11H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide?
N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110866861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).