3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide

C20H23N3O — CID 861961

IUPAC3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c(C)c1
InChIInChI=1S/C20H23N3O/c1-13-5-6-17(16(4)9-13)22-20(24)7-8-23-12-21-18-10-14(2)15(3)11-19(18)23/h5-6,9-12H,7-8H2,1-4H3,(H,22,24)
InChIKeyZSOSEIOUHSNALP-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.30
Rot. Bonds4

About 3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide

3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 861961) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide
PubChem CID861961
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c(C)c1
InChIInChI=1S/C20H23N3O/c1-13-5-6-17(16(4)9-13)22-20(24)7-8-23-12-21-18-10-14(2)15(3)11-19(18)23/h5-6,9-12H,7-8H2,1-4H3,(H,22,24)
InChIKeyZSOSEIOUHSNALP-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324526
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
3-(5,6-dimethylbenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 861966
3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 16615175
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide
CID 39890863
N-(4-methyl-2-propoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55902104
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
1-[4-(2,5-dimethylphenoxy)butyl]-5,6-dimethylbenzimidazole
CID 16995057
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide (CID 861961) is 3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c(C)c1.
What is the InChIKey of 3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is ZSOSEIOUHSNALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-5-6-17(16(4)9-13)22-20(24)7-8-23-12-21-18-10-14(2)15(3)11-19(18)23/h5-6,9-12H,7-8H2,1-4H3,(H,22,24).
What are the key properties of 3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide?
3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 861961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).