1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol

C13H17N3O — CID 168988981

IUPAC1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc2c(N3CCC(O)C3)cccc2n1C
InChIInChI=1S/C13H17N3O/c1-9-14-13-11(15(9)2)4-3-5-12(13)16-7-6-10(17)8-16/h3-5,10,17H,6-8H2,1-2H3
InChIKeyUHQYPIWRMHOWBJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.45
Rot. Bonds1

About 1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol

1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol (PubChem CID 168988981) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol
PubChem CID168988981
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc2c(N3CCC(O)C3)cccc2n1C
InChIInChI=1S/C13H17N3O/c1-9-14-13-11(15(9)2)4-3-5-12(13)16-7-6-10(17)8-16/h3-5,10,17H,6-8H2,1-2H3
InChIKeyUHQYPIWRMHOWBJ-UHFFFAOYSA-N
XLogP1.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol (CID 168988981) is 1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol is Cc1nc2c(N3CCC(O)C3)cccc2n1C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol?
The InChIKey is UHQYPIWRMHOWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-14-13-11(15(9)2)4-3-5-12(13)16-7-6-10(17)8-16/h3-5,10,17H,6-8H2,1-2H3.
What are the key properties of 1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol?
1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol has a molecular weight of 231.30 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 168988981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).