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

C28H39N3O2 — CID 16976682

IUPAC4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCCn1c(CCNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C28H39N3O2/c1-3-4-5-6-7-8-9-10-13-22-31-26-15-12-11-14-25(26)30-27(31)20-21-29-28(32)23-16-18-24(33-2)19-17-23/h11-12,14-19H,3-10,13,20-22H2,1-2H3,(H,29,32)
InChIKeyBDFNICKDCFRQDT-UHFFFAOYSA-N
MW449.64 g/mol
LogP6.55
Rot. Bonds15

About 4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide

4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 16976682) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID16976682
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC Name4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCCn1c(CCNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C28H39N3O2/c1-3-4-5-6-7-8-9-10-13-22-31-26-15-12-11-14-25(26)30-27(31)20-21-29-28(32)23-16-18-24(33-2)19-17-23/h11-12,14-19H,3-10,13,20-22H2,1-2H3,(H,29,32)
InChIKeyBDFNICKDCFRQDT-UHFFFAOYSA-N
XLogP6.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 56.55
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-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide (CID 16976682) is 4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide is CCCCCCCCCCCn1c(CCNC(=O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is BDFNICKDCFRQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-3-4-5-6-7-8-9-10-13-22-31-26-15-12-11-14-25(26)30-27(31)20-21-29-28(32)23-16-18-24(33-2)19-17-23/h11-12,14-19H,3-10,13,20-22H2,1-2H3,(H,29,32).
What are the key properties of 4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 449.64 g/mol, XLogP of 6.55, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 16976682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).