N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide

C30H34ClN3O3 — CID 16991334

IUPACN-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H34ClN3O3/c1-36-25-16-12-23(13-17-25)30(35)32-20-6-2-3-11-29-33-27-9-4-5-10-28(27)34(29)21-7-8-22-37-26-18-14-24(31)15-19-26/h4-5,9-10,12-19H,2-3,6-8,11,20-22H2,1H3,(H,32,35)
InChIKeyGALDXLZQGICKRY-UHFFFAOYSA-N
MW520.07 g/mol
LogP6.70
Rot. Bonds14

About N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide

N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide (PubChem CID 16991334) has the molecular formula C30H34ClN3O3 and a molecular weight of 520.07 g/mol. Its IUPAC name is N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
PubChem CID16991334
Molecular FormulaC30H34ClN3O3
Molecular Weight520.07 g/mol
Exact Mass519.23
IUPAC NameN-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H34ClN3O3/c1-36-25-16-12-23(13-17-25)30(35)32-20-6-2-3-11-29-33-27-9-4-5-10-28(27)34(29)21-7-8-22-37-26-18-14-24(31)15-19-26/h4-5,9-10,12-19H,2-3,6-8,11,20-22H2,1H3,(H,32,35)
InChIKeyGALDXLZQGICKRY-UHFFFAOYSA-N
XLogP6.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.07
LogP ≤ 56.70
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-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
4-chloro-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991498
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
N-[5-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991791
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987932
N-[5-[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991339
N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982245
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991275
4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991259

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
The IUPAC name of N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide (CID 16991334) is N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
The InChIKey is GALDXLZQGICKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O3/c1-36-25-16-12-23(13-17-25)30(35)32-20-6-2-3-11-29-33-27-9-4-5-10-28(27)34(29)21-7-8-22-37-26-18-14-24(31)15-19-26/h4-5,9-10,12-19H,2-3,6-8,11,20-22H2,1H3,(H,32,35).
What are the key properties of N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide has a molecular weight of 520.07 g/mol, XLogP of 6.70, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide is sourced from PubChem (CID 16991334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).