N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide

C21H25N3O — CID 16985019

IUPACN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
SMILESCCn1c(CCCNC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C21H25N3O/c1-3-24-19-12-7-6-11-18(19)23-20(24)13-8-14-22-21(25)15-17-10-5-4-9-16(17)2/h4-7,9-12H,3,8,13-15H2,1-2H3,(H,22,25)
InChIKeyLXJHYKABEQXLAV-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.66
Rot. Bonds7

About N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide

N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide (PubChem CID 16985019) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
PubChem CID16985019
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
SMILESCCn1c(CCCNC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C21H25N3O/c1-3-24-19-12-7-6-11-18(19)23-20(24)13-8-14-22-21(25)15-17-10-5-4-9-16(17)2/h4-7,9-12H,3,8,13-15H2,1-2H3,(H,22,25)
InChIKeyLXJHYKABEQXLAV-UHFFFAOYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985028
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985043
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979073
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993525
N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979081
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985123
N-[3-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985126
2-(2-methylphenyl)-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]acetamide
CID 16979071

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide (CID 16985019) is N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide is CCn1c(CCCNC(=O)Cc2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide?
The InChIKey is LXJHYKABEQXLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-24-19-12-7-6-11-18(19)23-20(24)13-8-14-22-21(25)15-17-10-5-4-9-16(17)2/h4-7,9-12H,3,8,13-15H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide?
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16985019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).