N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide

C26H35N3O3 — CID 16988855

IUPACN-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(OCCn2c(CCCCCNC(=O)C(C)(C)C)nc3ccccc32)c1
InChIInChI=1S/C26H35N3O3/c1-26(2,3)25(30)27-16-9-5-6-15-24-28-22-13-7-8-14-23(22)29(24)17-18-32-21-12-10-11-20(19-21)31-4/h7-8,10-14,19H,5-6,9,15-18H2,1-4H3,(H,27,30)
InChIKeyAOKVPPVYESPCGF-UHFFFAOYSA-N
MW437.58 g/mol
LogP5.00
Rot. Bonds11

About N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide

N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide (PubChem CID 16988855) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
PubChem CID16988855
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(OCCn2c(CCCCCNC(=O)C(C)(C)C)nc3ccccc32)c1
InChIInChI=1S/C26H35N3O3/c1-26(2,3)25(30)27-16-9-5-6-15-24-28-22-13-7-8-14-23(22)29(24)17-18-32-21-12-10-11-20(19-21)31-4/h7-8,10-14,19H,5-6,9,15-18H2,1-4H3,(H,27,30)
InChIKeyAOKVPPVYESPCGF-UHFFFAOYSA-N
XLogP5.00
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 55.00
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-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988910
N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988739
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990313
N-[5-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988847
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993877
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994363
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988872
2-(3,4-dimethoxyphenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994201
(E)-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992111
N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989225
N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992597

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide (CID 16988855) is N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide is COc1cccc(OCCn2c(CCCCCNC(=O)C(C)(C)C)nc3ccccc32)c1.
What is the InChIKey of N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
The InChIKey is AOKVPPVYESPCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-26(2,3)25(30)27-16-9-5-6-15-24-28-22-13-7-8-14-23(22)29(24)17-18-32-21-12-10-11-20(19-21)31-4/h7-8,10-14,19H,5-6,9,15-18H2,1-4H3,(H,27,30).
What are the key properties of N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide has a molecular weight of 437.58 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16988855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).