2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide

C18H20N4O — CID 93215409

IUPAC2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(C)nc2c(N)cccc21)c1ccccc1
InChIInChI=1S/C18H20N4O/c1-3-21(14-8-5-4-6-9-14)17(23)12-22-13(2)20-18-15(19)10-7-11-16(18)22/h4-11H,3,12,19H2,1-2H3
InChIKeySUXYTLKTRPHXNH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.98
Rot. Bonds4

About 2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide

2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide (PubChem CID 93215409) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide
PubChem CID93215409
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(C)nc2c(N)cccc21)c1ccccc1
InChIInChI=1S/C18H20N4O/c1-3-21(14-8-5-4-6-9-14)17(23)12-22-13(2)20-18-15(19)10-7-11-16(18)22/h4-11H,3,12,19H2,1-2H3
InChIKeySUXYTLKTRPHXNH-UHFFFAOYSA-N
XLogP2.98
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
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-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163
N-ethyl-2-[2-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-phenylacetamide
CID 19242222
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 17001099
N-ethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17001382
2-(4-amino-2-methylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 93215396
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967438
ethyl 2-(4-amino-2-methylbenzimidazol-1-yl)butanoate
CID 82067094
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007232
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
CID 93215468

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide (CID 93215409) is 2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide is CCN(C(=O)Cn1c(C)nc2c(N)cccc21)c1ccccc1.
What is the InChIKey of 2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide?
The InChIKey is SUXYTLKTRPHXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-21(14-8-5-4-6-9-14)17(23)12-22-13(2)20-18-15(19)10-7-11-16(18)22/h4-11H,3,12,19H2,1-2H3.
What are the key properties of 2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide?
2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide has a molecular weight of 308.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 93215409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).