2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide

C18H20N4O — CID 93215468

IUPAC2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
SMILESCCc1nc2c(N)cccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C18H20N4O/c1-2-16-21-18-14(19)9-6-10-15(18)22(16)12-17(23)20-11-13-7-4-3-5-8-13/h3-10H,2,11-12,19H2,1H3,(H,20,23)
InChIKeyHEYUXHQCGIGUHS-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide

2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide (PubChem CID 93215468) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
PubChem CID93215468
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
SMILESCCc1nc2c(N)cccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C18H20N4O/c1-2-16-21-18-14(19)9-6-10-15(18)22(16)12-17(23)20-11-13-7-4-3-5-8-13/h3-10H,2,11-12,19H2,1H3,(H,20,23)
InChIKeyHEYUXHQCGIGUHS-UHFFFAOYSA-N
XLogP2.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid
CID 82067202
2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
CID 82067997
3-[(4-amino-2-ethylbenzimidazol-1-yl)methyl]benzoic acid
CID 82067236
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163
2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067706
2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34641233
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
CID 82067573
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
2-(2-ethylbenzimidazol-1-yl)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 55889267
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067994
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide?
The IUPAC name of 2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide (CID 93215468) is 2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide?
The canonical SMILES for 2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide is CCc1nc2c(N)cccc2n1CC(=O)NCc1ccccc1.
What is the InChIKey of 2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide?
The InChIKey is HEYUXHQCGIGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-16-21-18-14(19)9-6-10-15(18)22(16)12-17(23)20-11-13-7-4-3-5-8-13/h3-10H,2,11-12,19H2,1H3,(H,20,23).
What are the key properties of 2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide?
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide has a molecular weight of 308.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide is sourced from PubChem (CID 93215468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).