6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one

C9H10ClN3O — CID 83885627

IUPAC6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one
SMILESNCCc1cc(Cl)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H10ClN3O/c10-6-3-5(1-2-11)4-7-8(6)13-9(14)12-7/h3-4H,1-2,11H2,(H2,12,13,14)
InChIKeyGWUMVEHJAZPPLC-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.01
Rot. Bonds2

About 6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one

6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one (PubChem CID 83885627) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one
PubChem CID83885627
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one
SMILESNCCc1cc(Cl)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H10ClN3O/c10-6-3-5(1-2-11)4-7-8(6)13-9(14)12-7/h3-4H,1-2,11H2,(H2,12,13,14)
InChIKeyGWUMVEHJAZPPLC-UHFFFAOYSA-N
XLogP1.01
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one (CID 83885627) is 6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one is NCCc1cc(Cl)c2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GWUMVEHJAZPPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-6-3-5(1-2-11)4-7-8(6)13-9(14)12-7/h3-4H,1-2,11H2,(H2,12,13,14).
What are the key properties of 6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one?
6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 83885627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).