2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide

C31H45N3O2 — CID 16990094

IUPAC2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCCCCCCCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C31H45N3O2/c1-3-4-5-6-7-8-9-10-18-25-34-28-21-15-14-20-27(28)33-30(34)23-12-11-17-24-32-31(35)26-19-13-16-22-29(26)36-2/h13-16,19-22H,3-12,17-18,23-25H2,1-2H3,(H,32,35)
InChIKeyFMSILIPAHMSFCJ-UHFFFAOYSA-N
MW491.72 g/mol
LogP7.72
Rot. Bonds18

About 2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide

2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide (PubChem CID 16990094) has the molecular formula C31H45N3O2 and a molecular weight of 491.72 g/mol. Its IUPAC name is 2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
PubChem CID16990094
Molecular FormulaC31H45N3O2
Molecular Weight491.72 g/mol
Exact Mass491.35
IUPAC Name2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
SMILESCCCCCCCCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C31H45N3O2/c1-3-4-5-6-7-8-9-10-18-25-34-28-21-15-14-20-27(28)33-30(34)23-12-11-17-24-32-31(35)26-19-13-16-22-29(26)36-2/h13-16,19-22H,3-12,17-18,23-25H2,1-2H3,(H,32,35)
InChIKeyFMSILIPAHMSFCJ-UHFFFAOYSA-N
XLogP7.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.72
LogP ≤ 57.72
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-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
CID 16990090
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990124
N-[5-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990175
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990131
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
2-(3,4-dimethoxyphenyl)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
CID 16994142

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide?
The IUPAC name of 2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide (CID 16990094) is 2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide is CCCCCCCCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide?
The InChIKey is FMSILIPAHMSFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N3O2/c1-3-4-5-6-7-8-9-10-18-25-34-28-21-15-14-20-27(28)33-30(34)23-12-11-17-24-32-31(35)26-19-13-16-22-29(26)36-2/h13-16,19-22H,3-12,17-18,23-25H2,1-2H3,(H,32,35).
What are the key properties of 2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide?
2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide has a molecular weight of 491.72 g/mol, XLogP of 7.72, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide is sourced from PubChem (CID 16990094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).