2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide

C21H25N3O2 — CID 16972665

IUPAC2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-4-13-24-19-8-6-5-7-18(19)23-21(24)15(2)22-20(25)14-16-9-11-17(26-3)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyYTJWVVXYYJIAEB-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.87
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide

2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 16972665) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID16972665
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-4-13-24-19-8-6-5-7-18(19)23-21(24)15(2)22-20(25)14-16-9-11-17(26-3)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyYTJWVVXYYJIAEB-UHFFFAOYSA-N
XLogP3.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671
2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16972683
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111
N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972820
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 91821956
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971563
N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971565
2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972690
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972817
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972591

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide (CID 16972665) is 2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide is CCCn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is YTJWVVXYYJIAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-13-24-19-8-6-5-7-18(19)23-21(24)15(2)22-20(25)14-16-9-11-17(26-3)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide?
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 16972665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).