N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide

C15H21N3O — CID 17028516

IUPACN-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
SMILESCCCNC(=O)Cn1c(C)nc2cc(C)c(C)cc21
InChIInChI=1S/C15H21N3O/c1-5-6-16-15(19)9-18-12(4)17-13-7-10(2)11(3)8-14(13)18/h7-8H,5-6,9H2,1-4H3,(H,16,19)
InChIKeySGOGJYATQMMTTO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.49
Rot. Bonds4

About N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide

N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide (PubChem CID 17028516) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
PubChem CID17028516
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
SMILESCCCNC(=O)Cn1c(C)nc2cc(C)c(C)cc21
InChIInChI=1S/C15H21N3O/c1-5-6-16-15(19)9-18-12(4)17-13-7-10(2)11(3)8-14(13)18/h7-8H,5-6,9H2,1-4H3,(H,16,19)
InChIKeySGOGJYATQMMTTO-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028528
N-propan-2-yl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028520
N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028562
N-(2,6-dimethylphenyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028552
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768123
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide
CID 50761211
sodium 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoate
CID 165382501

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide (CID 17028516) is N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide is CCCNC(=O)Cn1c(C)nc2cc(C)c(C)cc21.
What is the InChIKey of N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The InChIKey is SGOGJYATQMMTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-6-16-15(19)9-18-12(4)17-13-7-10(2)11(3)8-14(13)18/h7-8H,5-6,9H2,1-4H3,(H,16,19).
What are the key properties of N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17028516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).