N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide

C30H35N3O2 — CID 16991913

IUPACN-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C30H35N3O2/c1-22-13-16-25(17-14-22)30(34)31-18-8-4-5-11-29-32-26-9-6-7-10-27(26)33(29)19-20-35-28-21-23(2)12-15-24(28)3/h6-7,9-10,12-17,21H,4-5,8,11,18-20H2,1-3H3,(H,31,34)
InChIKeyHBPSLJDTVKNUFB-UHFFFAOYSA-N
MW469.63 g/mol
LogP6.18
Rot. Bonds11

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

N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide (PubChem CID 16991913) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
PubChem CID16991913
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC NameN-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C30H35N3O2/c1-22-13-16-25(17-14-22)30(34)31-18-8-4-5-11-29-32-26-9-6-7-10-27(26)33(29)19-20-35-28-21-23(2)12-15-24(28)3/h6-7,9-10,12-17,21H,4-5,8,11,18-20H2,1-3H3,(H,31,34)
InChIKeyHBPSLJDTVKNUFB-UHFFFAOYSA-N
XLogP6.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 56.18
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

N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990293
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3,4,5-trimethoxybenzamide
CID 16991103
4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991936
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990997
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991264
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990131
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989701
4-bromo-N-[3-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984820
2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989642
4-methyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984323
(E)-N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992075
N-[[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007205

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide?
The IUPAC name of N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide (CID 16991913) is N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide?
The canonical SMILES for N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cc(C)ccc2C)cc1.
What is the InChIKey of N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide?
The InChIKey is HBPSLJDTVKNUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-22-13-16-25(17-14-22)30(34)31-18-8-4-5-11-29-32-26-9-6-7-10-27(26)33(29)19-20-35-28-21-23(2)12-15-24(28)3/h6-7,9-10,12-17,21H,4-5,8,11,18-20H2,1-3H3,(H,31,34).
What are the key properties of N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide?
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide has a molecular weight of 469.63 g/mol, XLogP of 6.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide is sourced from PubChem (CID 16991913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).