5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one

C9H11N3O2 — CID 83530993

IUPAC5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
SMILESNC(CO)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H11N3O2/c10-6(4-13)5-1-2-7-8(3-5)12-9(14)11-7/h1-3,6,13H,4,10H2,(H2,11,12,14)
InChIKeyHIYKDIDTHPOVIH-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.15
Rot. Bonds2

About 5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one

5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 83530993) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID83530993
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
SMILESNC(CO)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H11N3O2/c10-6(4-13)5-1-2-7-8(3-5)12-9(14)11-7/h1-3,6,13H,4,10H2,(H2,11,12,14)
InChIKeyHIYKDIDTHPOVIH-UHFFFAOYSA-N
XLogP-0.15
TPSA94.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
CID 43446952
5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 55260322
5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 62933664
5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 62935017
ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
CID 61328180
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one (CID 83530993) is 5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one is NC(CO)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HIYKDIDTHPOVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-6(4-13)5-1-2-7-8(3-5)12-9(14)11-7/h1-3,6,13H,4,10H2,(H2,11,12,14).
What are the key properties of 5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one?
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 193.21 g/mol, XLogP of -0.15, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 83530993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).