N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide

C30H35N3O3 — CID 16990794

IUPACN-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
SMILESCCc1ccc(OCCn2c(CCCCCNC(=O)c3cccc(OC)c3)nc3ccccc32)cc1
InChIInChI=1S/C30H35N3O3/c1-3-23-15-17-25(18-16-23)36-21-20-33-28-13-7-6-12-27(28)32-29(33)14-5-4-8-19-31-30(34)24-10-9-11-26(22-24)35-2/h6-7,9-13,15-18,22H,3-5,8,14,19-21H2,1-2H3,(H,31,34)
InChIKeyHJNFAAGYOOXWDV-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.83
Rot. Bonds13

About N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide

N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide (PubChem CID 16990794) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
PubChem CID16990794
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC NameN-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
SMILESCCc1ccc(OCCn2c(CCCCCNC(=O)c3cccc(OC)c3)nc3ccccc32)cc1
InChIInChI=1S/C30H35N3O3/c1-3-23-15-17-25(18-16-23)36-21-20-33-28-13-7-6-12-27(28)32-29(33)14-5-4-8-19-31-30(34)24-10-9-11-26(22-24)35-2/h6-7,9-13,15-18,22H,3-5,8,14,19-21H2,1-2H3,(H,31,34)
InChIKeyHJNFAAGYOOXWDV-UHFFFAOYSA-N
XLogP5.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.83
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-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983745
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3,4,5-trimethoxybenzamide
CID 16991118
3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990820
3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983688
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990313
3,4-dimethoxy-N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990960
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994015
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
3-chloro-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990491
N-[5-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990817

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide (CID 16990794) is N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide is CCc1ccc(OCCn2c(CCCCCNC(=O)c3cccc(OC)c3)nc3ccccc32)cc1.
What is the InChIKey of N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
The InChIKey is HJNFAAGYOOXWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-3-23-15-17-25(18-16-23)36-21-20-33-28-13-7-6-12-27(28)32-29(33)14-5-4-8-19-31-30(34)24-10-9-11-26(22-24)35-2/h6-7,9-13,15-18,22H,3-5,8,14,19-21H2,1-2H3,(H,31,34).
What are the key properties of N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide has a molecular weight of 485.63 g/mol, XLogP of 5.83, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide is sourced from PubChem (CID 16990794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).