6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one

C10H12ClN3O2 — CID 83899138

IUPAC6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(C(O)CN)c(Cl)cc21
InChIInChI=1S/C10H12ClN3O2/c1-14-8-3-6(11)5(9(15)4-12)2-7(8)13-10(14)16/h2-3,9,15H,4,12H2,1H3,(H,13,16)
InChIKeyQPDJFNVCZAJHIH-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.51
Rot. Bonds2

About 6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one

6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one (PubChem CID 83899138) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one
PubChem CID83899138
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(C(O)CN)c(Cl)cc21
InChIInChI=1S/C10H12ClN3O2/c1-14-8-3-6(11)5(9(15)4-12)2-7(8)13-10(14)16/h2-3,9,15H,4,12H2,1H3,(H,13,16)
InChIKeyQPDJFNVCZAJHIH-UHFFFAOYSA-N
XLogP0.51
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one (CID 83899138) is 6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cc(C(O)CN)c(Cl)cc21.
What is the InChIKey of 6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one?
The InChIKey is QPDJFNVCZAJHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-14-8-3-6(11)5(9(15)4-12)2-7(8)13-10(14)16/h2-3,9,15H,4,12H2,1H3,(H,13,16).
What are the key properties of 6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one?
6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one has a molecular weight of 241.68 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1-hydroxyethyl)-5-chloro-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 83899138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).