2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide

C35H53N3O2 — CID 16976201

IUPAC2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C35H53N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-38-32-25-20-19-24-31(32)37-34(38)27-28-36-35(39)30-23-18-21-26-33(30)40-2/h18-21,23-26H,3-17,22,27-29H2,1-2H3,(H,36,39)
InChIKeyXOMHARZLGYOFQX-UHFFFAOYSA-N
MW547.83 g/mol
LogP9.28
Rot. Bonds22

About 2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide

2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 16976201) has the molecular formula C35H53N3O2 and a molecular weight of 547.83 g/mol. Its IUPAC name is 2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID16976201
Molecular FormulaC35H53N3O2
Molecular Weight547.83 g/mol
Exact Mass547.41
IUPAC Name2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C35H53N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-38-32-25-20-19-24-31(32)37-34(38)27-28-36-35(39)30-23-18-21-26-33(30)40-2/h18-21,23-26H,3-17,22,27-29H2,1-2H3,(H,36,39)
InChIKeyXOMHARZLGYOFQX-UHFFFAOYSA-N
XLogP9.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.83
LogP ≤ 59.28
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-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990094
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
CID 16990090
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976257
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide (CID 16976201) is 2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide is CCCCCCCCCCCCCCCCCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is XOMHARZLGYOFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-38-32-25-20-19-24-31(32)37-34(38)27-28-36-35(39)30-23-18-21-26-33(30)40-2/h18-21,23-26H,3-17,22,27-29H2,1-2H3,(H,36,39).
What are the key properties of 2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide?
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 547.83 g/mol, XLogP of 9.28, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 16976201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).