N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide

C21H25N3O3 — CID 23609980

IUPACN-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
SMILESCOc1ccc(OCCCn2c(CN(C)C(C)=O)nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O3/c1-16(25)23(2)15-21-22-19-7-4-5-8-20(19)24(21)13-6-14-27-18-11-9-17(26-3)10-12-18/h4-5,7-12H,6,13-15H2,1-3H3
InChIKeyPGPBWAGGGFOLSC-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.49
Rot. Bonds8

About N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide

N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide (PubChem CID 23609980) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
PubChem CID23609980
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
SMILESCOc1ccc(OCCCn2c(CN(C)C(C)=O)nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O3/c1-16(25)23(2)15-21-22-19-7-4-5-8-20(19)24(21)13-6-14-27-18-11-9-17(26-3)10-12-18/h4-5,7-12H,6,13-15H2,1-3H3
InChIKeyPGPBWAGGGFOLSC-UHFFFAOYSA-N
XLogP3.49
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
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-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 6494355
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966944
N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964156
N-[[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 18885701
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964193
2-(azepan-1-ylmethyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 18885338
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965753
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
N-methyl-N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619647
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide (CID 23609980) is N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide is COc1ccc(OCCCn2c(CN(C)C(C)=O)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide?
The InChIKey is PGPBWAGGGFOLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)23(2)15-21-22-19-7-4-5-8-20(19)24(21)13-6-14-27-18-11-9-17(26-3)10-12-18/h4-5,7-12H,6,13-15H2,1-3H3.
What are the key properties of N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide?
N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide has a molecular weight of 367.45 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 23609980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).