N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide

C26H27N3O3 — CID 17007329

IUPACN-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
SMILESCOc1ccccc1OCCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C26H27N3O3/c1-19-9-7-10-20(17-19)26(30)27-18-25-28-21-11-3-4-12-22(21)29(25)15-8-16-32-24-14-6-5-13-23(24)31-2/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,27,30)
InChIKeyOGDNEKFQYZQMTA-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.75
Rot. Bonds9

About N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide

N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide (PubChem CID 17007329) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
PubChem CID17007329
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
SMILESCOc1ccccc1OCCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C26H27N3O3/c1-19-9-7-10-20(17-19)26(30)27-18-25-28-21-11-3-4-12-22(21)29(25)15-8-16-32-24-14-6-5-13-23(24)31-2/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,27,30)
InChIKeyOGDNEKFQYZQMTA-UHFFFAOYSA-N
XLogP4.75
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007322
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990299
3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008602
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
4-bromo-N-[[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17009252
3-methyl-N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007300
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17006993
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
CID 16968923
N-[[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008426

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide (CID 17007329) is N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide is COc1ccccc1OCCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
The InChIKey is OGDNEKFQYZQMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-9-7-10-20(17-19)26(30)27-18-25-28-21-11-3-4-12-22(21)29(25)15-8-16-32-24-14-6-5-13-23(24)31-2/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,27,30).
What are the key properties of N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide is sourced from PubChem (CID 17007329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).