N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide

C15H21N3O2 — CID 119059423

IUPACN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C15H21N3O2/c1-5-20-10(2)15(19)16-9-12-6-7-14-13(8-12)17-11(3)18(14)4/h6-8,10H,5,9H2,1-4H3,(H,16,19)
InChIKeyWCTMIEAYSLXCAT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.92
Rot. Bonds5

About N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide (PubChem CID 119059423) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide
PubChem CID119059423
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C15H21N3O2/c1-5-20-10(2)15(19)16-9-12-6-7-14-13(8-12)17-11(3)18(14)4/h6-8,10H,5,9H2,1-4H3,(H,16,19)
InChIKeyWCTMIEAYSLXCAT-UHFFFAOYSA-N
XLogP1.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 90652658
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 110785967
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059
2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
CID 110786068
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72864861
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide?
The IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide (CID 119059423) is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide?
The canonical SMILES for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide is CCOC(C)C(=O)NCc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide?
The InChIKey is WCTMIEAYSLXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-20-10(2)15(19)16-9-12-6-7-14-13(8-12)17-11(3)18(14)4/h6-8,10H,5,9H2,1-4H3,(H,16,19).
What are the key properties of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide?
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide has a molecular weight of 275.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide is sourced from PubChem (CID 119059423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).