N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C11H14N4O2 — CID 82496271

IUPACN-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESNCCNC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H14N4O2/c12-3-4-13-10(16)6-7-1-2-8-9(5-7)15-11(17)14-8/h1-2,5H,3-4,6,12H2,(H,13,16)(H2,14,15,17)
InChIKeyBLQRVALVGHYUBE-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.53
Rot. Bonds4

About N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 82496271) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID82496271
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESNCCNC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H14N4O2/c12-3-4-13-10(16)6-7-1-2-8-9(5-7)15-11(17)14-8/h1-2,5H,3-4,6,12H2,(H,13,16)(H2,14,15,17)
InChIKeyBLQRVALVGHYUBE-UHFFFAOYSA-N
XLogP-0.53
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 110791217
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115195337
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
N-(2-aminoethyl)-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]benzamide;hydrochloride
CID 120604115
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772085
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110791177
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
3-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]propanoic acid
CID 119350958
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 158499935

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 82496271) is N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is NCCNC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is BLQRVALVGHYUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-3-4-13-10(16)6-7-1-2-8-9(5-7)15-11(17)14-8/h1-2,5H,3-4,6,12H2,(H,13,16)(H2,14,15,17).
What are the key properties of N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 234.26 g/mol, XLogP of -0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 82496271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).