N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide

C22H27N3O2 — CID 17032388

IUPACN-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESCCOCCCNC(=O)Cn1c(Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-3-27-14-8-13-23-22(26)16-25-20-12-7-6-11-19(20)24-21(25)15-18-10-5-4-9-17(18)2/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,23,26)
InChIKeyIUYHFSFUDUJUOM-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.48
Rot. Bonds9

About N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide

N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 17032388) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
PubChem CID17032388
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESCCOCCCNC(=O)Cn1c(Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-3-27-14-8-13-23-22(26)16-25-20-12-7-6-11-19(20)24-21(25)15-18-10-5-4-9-17(18)2/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,23,26)
InChIKeyIUYHFSFUDUJUOM-UHFFFAOYSA-N
XLogP3.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.48
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-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444
N-(3-ethoxypropyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51253387
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120
N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033393
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031542
4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030905
N-(4-ethoxyphenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032408
N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029351
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17032419
N-(4-chlorophenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032405
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 17032534
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide (CID 17032388) is N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide is CCOCCCNC(=O)Cn1c(Cc2ccccc2C)nc2ccccc21.
What is the InChIKey of N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is IUYHFSFUDUJUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-27-14-8-13-23-22(26)16-25-20-12-7-6-11-19(20)24-21(25)15-18-10-5-4-9-17(18)2/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,23,26).
What are the key properties of N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide?
N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17032388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).