N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide

C11H14N4O — CID 115157714

IUPACN-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
SMILESCCNCC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C11H14N4O/c1-2-12-6-11(16)15-8-3-4-9-10(5-8)14-7-13-9/h3-5,7,12H,2,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyOCIJTOSSOHWEMY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.11
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide

N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide (PubChem CID 115157714) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
PubChem CID115157714
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
SMILESCCNCC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C11H14N4O/c1-2-12-6-11(16)15-8-3-4-9-10(5-8)14-7-13-9/h3-5,7,12H,2,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyOCIJTOSSOHWEMY-UHFFFAOYSA-N
XLogP1.11
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110460990
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N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158058
N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide
CID 108814811
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
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CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide
CID 110467519
N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
CID 115160286
2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide
CID 115186850
1-(3H-benzimidazol-5-yl)-3-dodecylurea
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CID 115192411

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide (CID 115157714) is N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide is CCNCC(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide?
The InChIKey is OCIJTOSSOHWEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-12-6-11(16)15-8-3-4-9-10(5-8)14-7-13-9/h3-5,7,12H,2,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide?
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide is sourced from PubChem (CID 115157714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).