5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride

C9H10ClN3O2 — CID 18002813

IUPAC5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCl.NCC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H9N3O2.ClH/c10-4-8(13)5-1-2-6-7(3-5)12-9(14)11-6;/h1-3H,4,10H2,(H2,11,12,14);1H
InChIKeyMAXQGBVIFZOPJE-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.42
Rot. Bonds2

About 5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride

5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride (PubChem CID 18002813) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
PubChem CID18002813
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCl.NCC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H9N3O2.ClH/c10-4-8(13)5-1-2-6-7(3-5)12-9(14)11-6;/h1-3H,4,10H2,(H2,11,12,14);1H
InChIKeyMAXQGBVIFZOPJE-UHFFFAOYSA-N
XLogP0.42
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Benzoyl-1,3-dimethyl-2(3H)-benzimidazolone
CID 605217
compound 1 (PMID: 25408830)
CID 1091852
1,3-dimethyl-5-[(2-methylphenyl)carbonyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 658473
(2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone
CID 802340
5-Benzoyl-2-benzimidazolinone
CID 854379
1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carbaldehyde
CID 605450
5-Acetyl-1,3-dihydro-2H-benzimidazol-2-one
CID 13288769
2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 3232144
1-(4-Fluoro-benzyl)-2-oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid (2,4-difluoro-phenyl)-amide
CID 6489623
6-benzoyl-3-benzyl-1H-benzimidazol-2-one
CID 44420189
6-benzoyl-3-(cyclohexylmethyl)-1H-benzimidazol-2-one
CID 44420193
(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide
CID 45267008

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride (CID 18002813) is 5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride is Cl.NCC(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The InChIKey is MAXQGBVIFZOPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2.ClH/c10-4-8(13)5-1-2-6-7(3-5)12-9(14)11-6;/h1-3H,4,10H2,(H2,11,12,14);1H.
What are the key properties of 5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride?
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride has a molecular weight of 227.65 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 18002813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).