2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide

C12H12N4O2 — CID 168520800

IUPAC2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
SMILESCC(O)c1nc2ccc(NC(=O)CC#N)cc2[nH]1
InChIInChI=1S/C12H12N4O2/c1-7(17)12-15-9-3-2-8(6-10(9)16-12)14-11(18)4-5-13/h2-3,6-7,17H,4H2,1H3,(H,14,18)(H,15,16)
InChIKeyRVWZYTYWJWDGPJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.47
Rot. Bonds3

About 2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide

2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 168520800) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID168520800
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
SMILESCC(O)c1nc2ccc(NC(=O)CC#N)cc2[nH]1
InChIInChI=1S/C12H12N4O2/c1-7(17)12-15-9-3-2-8(6-10(9)16-12)14-11(18)4-5-13/h2-3,6-7,17H,4H2,1H3,(H,14,18)(H,15,16)
InChIKeyRVWZYTYWJWDGPJ-UHFFFAOYSA-N
XLogP1.47
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131918595
2-(1,3-benzodioxol-5-yl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131936069
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-piperidin-4-ylacetamide
CID 131891746
2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
CID 168522350
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
CID 131908353
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide
CID 168523092
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938928
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
N-(2H-benzotriazol-5-yl)-2-cyanoacetamide
CID 168520627

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide (CID 168520800) is 2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide is CC(O)c1nc2ccc(NC(=O)CC#N)cc2[nH]1.
What is the InChIKey of 2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is RVWZYTYWJWDGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7(17)12-15-9-3-2-8(6-10(9)16-12)14-11(18)4-5-13/h2-3,6-7,17H,4H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide?
2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 244.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 168520800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).