2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide

C31H37N3O4 — CID 16990191

IUPAC2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccccc1OCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C31H37N3O4/c1-36-27-17-8-5-14-24(27)31(35)32-21-11-3-4-20-30-33-25-15-6-7-16-26(25)34(30)22-12-13-23-38-29-19-10-9-18-28(29)37-2/h5-10,14-19H,3-4,11-13,20-23H2,1-2H3,(H,32,35)
InChIKeyXSQYWQRBOFLUCT-UHFFFAOYSA-N
MW515.65 g/mol
LogP6.06
Rot. Bonds15

About 2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide

2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990191) has the molecular formula C31H37N3O4 and a molecular weight of 515.65 g/mol. Its IUPAC name is 2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16990191
Molecular FormulaC31H37N3O4
Molecular Weight515.65 g/mol
Exact Mass515.28
IUPAC Name2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccccc1OCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C31H37N3O4/c1-36-27-17-8-5-14-24(27)31(35)32-21-11-3-4-20-30-33-25-15-6-7-16-26(25)34(30)22-12-13-23-38-29-19-10-9-18-28(29)37-2/h5-10,14-19H,3-4,11-13,20-23H2,1-2H3,(H,32,35)
InChIKeyXSQYWQRBOFLUCT-UHFFFAOYSA-N
XLogP6.06
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990094
2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988571
2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983065
2-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982749
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990131
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982927
3,4,5-trimethoxy-N-[5-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991134
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
N-[5-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990175

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide (CID 16990191) is 2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide is COc1ccccc1OCCCCn1c(CCCCCNC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is XSQYWQRBOFLUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O4/c1-36-27-17-8-5-14-24(27)31(35)32-21-11-3-4-20-30-33-25-15-6-7-16-26(25)34(30)22-12-13-23-38-29-19-10-9-18-28(29)37-2/h5-10,14-19H,3-4,11-13,20-23H2,1-2H3,(H,32,35).
What are the key properties of 2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 515.65 g/mol, XLogP of 6.06, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).