2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide

C23H29N3O3 — CID 16985669

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCn1c(CCCNC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C23H29N3O3/c1-4-14-26-19-9-6-5-8-18(19)25-22(26)10-7-13-24-23(27)16-17-11-12-20(28-2)21(15-17)29-3/h5-6,8-9,11-12,15H,4,7,10,13-14,16H2,1-3H3,(H,24,27)
InChIKeyWQANFLJOMYACLQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.76
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide (PubChem CID 16985669) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
PubChem CID16985669
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCn1c(CCCNC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C23H29N3O3/c1-4-14-26-19-9-6-5-8-18(19)25-22(26)10-7-13-24-23(27)16-17-11-12-20(28-2)21(15-17)29-3/h5-6,8-9,11-12,15H,4,7,10,13-14,16H2,1-3H3,(H,24,27)
InChIKeyWQANFLJOMYACLQ-UHFFFAOYSA-N
XLogP3.76
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
CID 16994142
3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
CID 4548357
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16985698
N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16985761
2-(3,4-dimethoxyphenyl)-N-[2-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979798
2-(3,4-dimethoxyphenyl)-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16985708
2-(3,4-dimethoxyphenyl)-N-[3-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16985694
2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
CID 16994134
2-(3,4-dimethoxyphenyl)-N-[2-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979838
N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994215
2-(3,4-dimethoxyphenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994201
N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 4688660

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide (CID 16985669) is 2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide is CCCn1c(CCCNC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
The InChIKey is WQANFLJOMYACLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-14-26-19-9-6-5-8-18(19)25-22(26)10-7-13-24-23(27)16-17-11-12-20(28-2)21(15-17)29-3/h5-6,8-9,11-12,15H,4,7,10,13-14,16H2,1-3H3,(H,24,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 16985669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).