3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide

C20H23N3O — CID 53131402

IUPAC3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)CCc2ccc3nc[nH]c3c2)c(C)c1
InChIInChI=1S/C20H23N3O/c1-13-4-7-17(14(2)10-13)15(3)23-20(24)9-6-16-5-8-18-19(11-16)22-12-21-18/h4-5,7-8,10-12,15H,6,9H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyLUENAPUXNFGDST-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.99
Rot. Bonds5

About 3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide

3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide (PubChem CID 53131402) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
PubChem CID53131402
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)CCc2ccc3nc[nH]c3c2)c(C)c1
InChIInChI=1S/C20H23N3O/c1-13-4-7-17(14(2)10-13)15(3)23-20(24)9-6-16-5-8-18-19(11-16)22-12-21-18/h4-5,7-8,10-12,15H,6,9H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyLUENAPUXNFGDST-UHFFFAOYSA-N
XLogP3.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 99132998
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 1225838
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide
CID 53131365
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 38005769
5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide
CID 82011319
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide (CID 53131402) is 3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide is Cc1ccc(C(C)NC(=O)CCc2ccc3nc[nH]c3c2)c(C)c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide?
The InChIKey is LUENAPUXNFGDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-4-7-17(14(2)10-13)15(3)23-20(24)9-6-16-5-8-18-19(11-16)22-12-21-18/h4-5,7-8,10-12,15H,6,9H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide?
3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 53131402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).