3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol

C10H12ClN3O — CID 91671805

IUPAC3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
SMILESNc1nc2cccc(Cl)c2n1CCCO
InChIInChI=1S/C10H12ClN3O/c11-7-3-1-4-8-9(7)14(5-2-6-15)10(12)13-8/h1,3-4,15H,2,5-6H2,(H2,12,13)
InChIKeyPUSZLSMRUJDOLO-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.65
Rot. Bonds3

About 3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol

3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol (PubChem CID 91671805) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
PubChem CID91671805
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
SMILESNc1nc2cccc(Cl)c2n1CCCO
InChIInChI=1S/C10H12ClN3O/c11-7-3-1-4-8-9(7)14(5-2-6-15)10(12)13-8/h1,3-4,15H,2,5-6H2,(H2,12,13)
InChIKeyPUSZLSMRUJDOLO-UHFFFAOYSA-N
XLogP1.65
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol (CID 91671805) is 3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol is Nc1nc2cccc(Cl)c2n1CCCO.
What is the InChIKey of 3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol?
The InChIKey is PUSZLSMRUJDOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-7-3-1-4-8-9(7)14(5-2-6-15)10(12)13-8/h1,3-4,15H,2,5-6H2,(H2,12,13).
What are the key properties of 3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol?
3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol has a molecular weight of 225.68 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 91671805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).