5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

C10H13N3O2 — CID 20613953

IUPAC5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNCC(O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H13N3O2/c1-11-5-9(14)6-2-3-7-8(4-6)13-10(15)12-7/h2-4,9,11,14H,5H2,1H3,(H2,12,13,15)
InChIKeySHMHYMZWSMNRLB-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.11
Rot. Bonds3

About 5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 20613953) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID20613953
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNCC(O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H13N3O2/c1-11-5-9(14)6-2-3-7-8(4-6)13-10(15)12-7/h2-4,9,11,14H,5H2,1H3,(H2,12,13,15)
InChIKeySHMHYMZWSMNRLB-UHFFFAOYSA-N
XLogP0.11
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one
CID 116964358
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 55172165
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82496150
5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 116914662
5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 104632705
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534
5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 82174352
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-bromo-2-oxopropyl)-1,3-dihydrobenzimidazol-2-one
CID 116859823
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 20613953) is 5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CNCC(O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SHMHYMZWSMNRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-11-5-9(14)6-2-3-7-8(4-6)13-10(15)12-7/h2-4,9,11,14H,5H2,1H3,(H2,12,13,15).
What are the key properties of 5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 20613953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).