2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide

C14H18N4O2 — CID 17028901

IUPAC2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(CNC(C)=O)nc2ccccc21
InChIInChI=1S/C14H18N4O2/c1-3-15-14(20)9-18-12-7-5-4-6-11(12)17-13(18)8-16-10(2)19/h4-7H,3,8-9H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyZIPTUFJWHSTGNL-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.81
Rot. Bonds5

About 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide

2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide (PubChem CID 17028901) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
PubChem CID17028901
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(CNC(C)=O)nc2ccccc21
InChIInChI=1S/C14H18N4O2/c1-3-15-14(20)9-18-12-7-5-4-6-11(12)17-13(18)8-16-10(2)19/h4-7H,3,8-9H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyZIPTUFJWHSTGNL-UHFFFAOYSA-N
XLogP0.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
N-ethyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033441
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028956
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028946

Frequently Asked Questions

What is the IUPAC name of 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide (CID 17028901) is 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide is CCNC(=O)Cn1c(CNC(C)=O)nc2ccccc21.
What is the InChIKey of 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide?
The InChIKey is ZIPTUFJWHSTGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-15-14(20)9-18-12-7-5-4-6-11(12)17-13(18)8-16-10(2)19/h4-7H,3,8-9H2,1-2H3,(H,15,20)(H,16,19).
What are the key properties of 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide?
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide has a molecular weight of 274.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 17028901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).