3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol

C13H16ClN3O — CID 114006759

IUPAC3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol
SMILESNCCC(O)c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C13H16ClN3O/c14-8-1-4-10-11(7-8)17(9-2-3-9)13(16-10)12(18)5-6-15/h1,4,7,9,12,18H,2-3,5-6,15H2
InChIKeyASOOOASWNSSWDI-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.41
Rot. Bonds4

About 3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol

3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol (PubChem CID 114006759) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol
PubChem CID114006759
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol
SMILESNCCC(O)c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C13H16ClN3O/c14-8-1-4-10-11(7-8)17(9-2-3-9)13(16-10)12(18)5-6-15/h1,4,7,9,12,18H,2-3,5-6,15H2
InChIKeyASOOOASWNSSWDI-UHFFFAOYSA-N
XLogP2.41
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol (CID 114006759) is 3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol is NCCC(O)c1nc2ccc(Cl)cc2n1C1CC1.
What is the InChIKey of 3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is ASOOOASWNSSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-8-1-4-10-11(7-8)17(9-2-3-9)13(16-10)12(18)5-6-15/h1,4,7,9,12,18H,2-3,5-6,15H2.
What are the key properties of 3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol?
3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 265.74 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 114006759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).