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

C27H29N3O3 — CID 16983688

IUPAC3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCc2nc3ccccc3n2CCOc2ccc(C)cc2)c1
InChIInChI=1S/C27H29N3O3/c1-20-12-14-22(15-13-20)33-18-17-30-25-10-4-3-9-24(25)29-26(30)11-6-16-28-27(31)21-7-5-8-23(19-21)32-2/h3-5,7-10,12-15,19H,6,11,16-18H2,1-2H3,(H,28,31)
InChIKeyQBNRHSRZLDPCPH-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.79
Rot. Bonds10

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

3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983688) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16983688
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCc2nc3ccccc3n2CCOc2ccc(C)cc2)c1
InChIInChI=1S/C27H29N3O3/c1-20-12-14-22(15-13-20)33-18-17-30-25-10-4-3-9-24(25)29-26(30)11-6-16-28-27(31)21-7-5-8-23(19-21)32-2/h3-5,7-10,12-15,19H,6,11,16-18H2,1-2H3,(H,28,31)
InChIKeyQBNRHSRZLDPCPH-UHFFFAOYSA-N
XLogP4.79
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.79
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-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990820
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983711
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
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983745
3-bromo-N-[3-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983370
3-chloro-N-[3-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983532
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964463
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 16983206
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144
3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983734

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (CID 16983688) is 3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is COc1cccc(C(=O)NCCCc2nc3ccccc3n2CCOc2ccc(C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is QBNRHSRZLDPCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-20-12-14-22(15-13-20)33-18-17-30-25-10-4-3-9-24(25)29-26(30)11-6-16-28-27(31)21-7-5-8-23(19-21)32-2/h3-5,7-10,12-15,19H,6,11,16-18H2,1-2H3,(H,28,31).
What are the key properties of 3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).