N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide

C33H41N3O2 — CID 16989701

IUPACN-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C33H41N3O2/c1-24-16-18-28(27(4)22-24)33(37)34-19-9-5-6-14-32-35-29-12-7-8-13-30(29)36(32)20-10-11-21-38-31-23-25(2)15-17-26(31)3/h7-8,12-13,15-18,22-23H,5-6,9-11,14,19-21H2,1-4H3,(H,34,37)
InChIKeyJAZKHZCIDSRVIX-UHFFFAOYSA-N
MW511.71 g/mol
LogP7.27
Rot. Bonds13

About N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide

N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide (PubChem CID 16989701) has the molecular formula C33H41N3O2 and a molecular weight of 511.71 g/mol. Its IUPAC name is N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
PubChem CID16989701
Molecular FormulaC33H41N3O2
Molecular Weight511.71 g/mol
Exact Mass511.32
IUPAC NameN-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C33H41N3O2/c1-24-16-18-28(27(4)22-24)33(37)34-19-9-5-6-14-32-35-29-12-7-8-13-30(29)36(32)20-10-11-21-38-31-23-25(2)15-17-26(31)3/h7-8,12-13,15-18,22-23H,5-6,9-11,14,19-21H2,1-4H3,(H,34,37)
InChIKeyJAZKHZCIDSRVIX-UHFFFAOYSA-N
XLogP7.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.71
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989642
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989674
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991913
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990997
2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989680
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990131
N-[5-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989707
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
4-bromo-N-[3-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984820

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide (CID 16989701) is N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide?
The InChIKey is JAZKHZCIDSRVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O2/c1-24-16-18-28(27(4)22-24)33(37)34-19-9-5-6-14-32-35-29-12-7-8-13-30(29)36(32)20-10-11-21-38-31-23-25(2)15-17-26(31)3/h7-8,12-13,15-18,22-23H,5-6,9-11,14,19-21H2,1-4H3,(H,34,37).
What are the key properties of N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide?
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide has a molecular weight of 511.71 g/mol, XLogP of 7.27, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 16989701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).