2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide

C28H39N3O2 — CID 16985520

IUPAC2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCCCCCCCn1c(CCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C28H39N3O2/c1-3-4-5-6-7-8-11-21-31-26-14-10-9-13-25(26)30-27(31)15-12-20-29-28(32)22-23-16-18-24(33-2)19-17-23/h9-10,13-14,16-19H,3-8,11-12,15,20-22H2,1-2H3,(H,29,32)
InChIKeyORPCIMFEYBCCFQ-UHFFFAOYSA-N
MW449.64 g/mol
LogP6.09
Rot. Bonds15

About 2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide

2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide (PubChem CID 16985520) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
PubChem CID16985520
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC Name2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCCCCCCCn1c(CCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C28H39N3O2/c1-3-4-5-6-7-8-11-21-31-26-14-10-9-13-25(26)30-27(31)15-12-20-29-28(32)22-23-16-18-24(33-2)19-17-23/h9-10,13-14,16-19H,3-8,11-12,15,20-22H2,1-2H3,(H,29,32)
InChIKeyORPCIMFEYBCCFQ-UHFFFAOYSA-N
XLogP6.09
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 ≤ 56.09
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-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985596
2-(3,4-dimethoxyphenyl)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
CID 16994142
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
2-(4-methoxyphenyl)-N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985611
2-(4-methoxyphenyl)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994060

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide (CID 16985520) is 2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide is CCCCCCCCCn1c(CCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide?
The InChIKey is ORPCIMFEYBCCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-3-4-5-6-7-8-11-21-31-26-14-10-9-13-25(26)30-27(31)15-12-20-29-28(32)22-23-16-18-24(33-2)19-17-23/h9-10,13-14,16-19H,3-8,11-12,15,20-22H2,1-2H3,(H,29,32).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide?
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide has a molecular weight of 449.64 g/mol, XLogP of 6.09, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 16985520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).