2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide

C13H18N4O — CID 60673139

IUPAC2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
SMILESCCn1c(CNCC(=O)NC)nc2ccccc21
InChIInChI=1S/C13H18N4O/c1-3-17-11-7-5-4-6-10(11)16-12(17)8-15-9-13(18)14-2/h4-7,15H,3,8-9H2,1-2H3,(H,14,18)
InChIKeyIXXAGYOKSAWGHX-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.89
Rot. Bonds5

About 2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide

2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide (PubChem CID 60673139) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
PubChem CID60673139
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
SMILESCCn1c(CNCC(=O)NC)nc2ccccc21
InChIInChI=1S/C13H18N4O/c1-3-17-11-7-5-4-6-10(11)16-12(17)8-15-9-13(18)14-2/h4-7,15H,3,8-9H2,1-2H3,(H,14,18)
InChIKeyIXXAGYOKSAWGHX-UHFFFAOYSA-N
XLogP0.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[(1-ethylbenzimidazol-2-yl)methylamino]acetamide
CID 115574820
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide?
The IUPAC name of 2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide (CID 60673139) is 2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide is CCn1c(CNCC(=O)NC)nc2ccccc21.
What is the InChIKey of 2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide?
The InChIKey is IXXAGYOKSAWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-17-11-7-5-4-6-10(11)16-12(17)8-15-9-13(18)14-2/h4-7,15H,3,8-9H2,1-2H3,(H,14,18).
What are the key properties of 2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide?
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide has a molecular weight of 246.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide is sourced from PubChem (CID 60673139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).