3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide

C30H35N3O3 — CID 16990820

IUPAC3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccc(C)cc2)c1
InChIInChI=1S/C30H35N3O3/c1-23-15-17-25(18-16-23)36-21-9-20-33-28-13-6-5-12-27(28)32-29(33)14-4-3-7-19-31-30(34)24-10-8-11-26(22-24)35-2/h5-6,8,10-13,15-18,22H,3-4,7,9,14,19-21H2,1-2H3,(H,31,34)
InChIKeyVLMBTBWBSYBQJT-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.97
Rot. Bonds13

About 3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide

3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990820) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16990820
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccc(C)cc2)c1
InChIInChI=1S/C30H35N3O3/c1-23-15-17-25(18-16-23)36-21-9-20-33-28-13-6-5-12-27(28)32-29(33)14-4-3-7-19-31-30(34)24-10-8-11-26(22-24)35-2/h5-6,8,10-13,15-18,22H,3-4,7,9,14,19-21H2,1-2H3,(H,31,34)
InChIKeyVLMBTBWBSYBQJT-UHFFFAOYSA-N
XLogP5.97
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.97
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

3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983688
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983711
N-[5-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990817
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990794
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990313
3-chloro-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990491
3,4,5-trimethoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991144
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983745

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (CID 16990820) is 3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is COc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccc(C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is VLMBTBWBSYBQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-23-15-17-25(18-16-23)36-21-9-20-33-28-13-6-5-12-27(28)32-29(33)14-4-3-7-19-31-30(34)24-10-8-11-26(22-24)35-2/h5-6,8,10-13,15-18,22H,3-4,7,9,14,19-21H2,1-2H3,(H,31,34).
What are the key properties of 3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?
3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 485.63 g/mol, XLogP of 5.97, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).