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

C16H23N3O — CID 110785953

IUPACN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C16H23N3O/c1-5-13(6-2)16(20)17-10-12-7-8-15-14(9-12)18-11(3)19(15)4/h7-9,13H,5-6,10H2,1-4H3,(H,17,20)
InChIKeyISXUAVDTMLYUAF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.93
Rot. Bonds5

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

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide (PubChem CID 110785953) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
PubChem CID110785953
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C16H23N3O/c1-5-13(6-2)16(20)17-10-12-7-8-15-14(9-12)18-11(3)19(15)4/h7-9,13H,5-6,10H2,1-4H3,(H,17,20)
InChIKeyISXUAVDTMLYUAF-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide (CID 110785953) is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide?
The InChIKey is ISXUAVDTMLYUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-13(6-2)16(20)17-10-12-7-8-15-14(9-12)18-11(3)19(15)4/h7-9,13H,5-6,10H2,1-4H3,(H,17,20).
What are the key properties of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide?
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide has a molecular weight of 273.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 110785953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).