N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide

C13H17N3O — CID 71618995

IUPACN-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
SMILESCCN(C(C)=O)C(C)n1cnc2ccccc21
InChIInChI=1S/C13H17N3O/c1-4-15(11(3)17)10(2)16-9-14-12-7-5-6-8-13(12)16/h5-10H,4H2,1-3H3
InChIKeyBNGVIVXOVSUICO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.42
Rot. Bonds3

About N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide

N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide (PubChem CID 71618995) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
PubChem CID71618995
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
SMILESCCN(C(C)=O)C(C)n1cnc2ccccc21
InChIInChI=1S/C13H17N3O/c1-4-15(11(3)17)10(2)16-9-14-12-7-5-6-8-13(12)16/h5-10H,4H2,1-3H3
InChIKeyBNGVIVXOVSUICO-UHFFFAOYSA-N
XLogP2.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide
CID 39115835
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
1-(benzimidazol-1-yl)propylphosphonic acid
CID 173432124
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700
2-(benzimidazol-1-yl)-3-oxobutanoyl chloride
CID 141411413
methyl 3-(benzimidazol-1-yl)butanoate
CID 43536389
2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771254
1-(benzimidazol-1-yl)propane-1,2-diol
CID 22018573
4-(benzimidazol-1-yl)pentan-2-ol
CID 64720389
N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide
CID 170698971
2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 46429703

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide?
The IUPAC name of N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide (CID 71618995) is N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide.
What is the SMILES notation for N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide?
The canonical SMILES for N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide is CCN(C(C)=O)C(C)n1cnc2ccccc21.
What is the InChIKey of N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide?
The InChIKey is BNGVIVXOVSUICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-15(11(3)17)10(2)16-9-14-12-7-5-6-8-13(12)16/h5-10H,4H2,1-3H3.
What are the key properties of N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide?
N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide has a molecular weight of 231.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide is sourced from PubChem (CID 71618995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).