2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide

C11H14N3O+ — CID 102113083

IUPAC2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide
SMILESCCn1c[n+](CC(N)=O)c2ccccc21
InChIInChI=1S/C11H13N3O/c1-2-13-8-14(7-11(12)15)10-6-4-3-5-9(10)13/h3-6,8H,2,7H2,1H3,(H-,12,15)/p+1
InChIKeyUPAAMUXPOKLPOM-UHFFFAOYSA-O
MW204.25 g/mol
LogP0.43
Rot. Bonds3

About 2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide

2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide (PubChem CID 102113083) has the molecular formula C11H14N3O+ and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide
PubChem CID102113083
Molecular FormulaC11H14N3O+
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide
SMILESCCn1c[n+](CC(N)=O)c2ccccc21
InChIInChI=1S/C11H13N3O/c1-2-13-8-14(7-11(12)15)10-6-4-3-5-9(10)13/h3-6,8H,2,7H2,1H3,(H-,12,15)/p+1
InChIKeyUPAAMUXPOKLPOM-UHFFFAOYSA-O
XLogP0.43
TPSA51.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethylbenzimidazol-1-ium-1-yl)propan-1-ol bromide
CID 89440320
6-(3-ethylbenzimidazol-1-ium-1-yl)hexan-1-ol bromide
CID 89439356
ethyl 2-(3-propylbenzimidazol-1-ium-1-yl)acetate bromide
CID 14067546
1-ethyl-3-[[3-[(3-ethylbenzimidazol-1-ium-1-yl)methyl]phenyl]methyl]benzimidazol-3-ium dibromide
CID 139239235
1-phenyl-2-(3-propylbenzimidazol-1-ium-1-yl)ethanone bromide
CID 45053812
3-(3-ethylbenzimidazol-1-ium-1-yl)propyl-trimethylsilane
CID 10450042
1-[(4-bromophenyl)methyl]-3-ethylbenzimidazol-1-ium
CID 102220583
bromomethane;1-ethyl-3-methylbenzimidazol-3-ium
CID 91100213
1-(dodecylsulfanylmethyl)-3-ethylbenzimidazol-1-ium
CID 10000854
1-ethyl-3-methylbenzimidazol-3-ium formate
CID 142755390
2-(3-butylbenzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone
CID 3380899
1-(3-ethylbenzimidazol-1-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 3149673

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide?
The IUPAC name of 2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide (CID 102113083) is 2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide.
What is the SMILES notation for 2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide?
The canonical SMILES for 2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide is CCn1c[n+](CC(N)=O)c2ccccc21.
What is the InChIKey of 2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide?
The InChIKey is UPAAMUXPOKLPOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13N3O/c1-2-13-8-14(7-11(12)15)10-6-4-3-5-9(10)13/h3-6,8H,2,7H2,1H3,(H-,12,15)/p+1.
What are the key properties of 2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide?
2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide has a molecular weight of 204.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide is sourced from PubChem (CID 102113083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).