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

C20H23N3O — CID 16982340

IUPACN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
SMILESCCn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-3-23-18-12-7-6-11-17(18)22-19(23)13-8-14-21-20(24)16-10-5-4-9-15(16)2/h4-7,9-12H,3,8,13-14H2,1-2H3,(H,21,24)
InChIKeyULYMIJDPGGHHDJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.73
Rot. Bonds6

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

N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide (PubChem CID 16982340) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
PubChem CID16982340
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
SMILESCCn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-3-23-18-12-7-6-11-17(18)22-19(23)13-8-14-21-20(24)16-10-5-4-9-15(16)2/h4-7,9-12H,3,8,13-14H2,1-2H3,(H,21,24)
InChIKeyULYMIJDPGGHHDJ-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.73
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-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982471
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982377
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
2-methyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]benzamide
CID 16982389
propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
CID 16982493
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444
2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983003
2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989477
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982475
N-[3-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982404
N-[3-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031470

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide?
The IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide (CID 16982340) is N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide is CCn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide?
The InChIKey is ULYMIJDPGGHHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-23-18-12-7-6-11-17(18)22-19(23)13-8-14-21-20(24)16-10-5-4-9-15(16)2/h4-7,9-12H,3,8,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide?
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide has a molecular weight of 321.42 g/mol, XLogP of 3.73, 6 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-methylbenzamide is sourced from PubChem (CID 16982340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).