2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol

C13H17N3O — CID 70793469

IUPAC2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol
SMILESCc1cc2c(cc1O)nc(C1(N)CCC1)n2C
InChIInChI=1S/C13H17N3O/c1-8-6-10-9(7-11(8)17)15-12(16(10)2)13(14)4-3-5-13/h6-7,17H,3-5,14H2,1-2H3
InChIKeyFKBAMVVHEFHHLO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.93
Rot. Bonds1

About 2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol

2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol (PubChem CID 70793469) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol
PubChem CID70793469
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol
SMILESCc1cc2c(cc1O)nc(C1(N)CCC1)n2C
InChIInChI=1S/C13H17N3O/c1-8-6-10-9(7-11(8)17)15-12(16(10)2)13(14)4-3-5-13/h6-7,17H,3-5,14H2,1-2H3
InChIKeyFKBAMVVHEFHHLO-UHFFFAOYSA-N
XLogP1.93
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol?
The IUPAC name of 2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol (CID 70793469) is 2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol?
The canonical SMILES for 2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol is Cc1cc2c(cc1O)nc(C1(N)CCC1)n2C.
What is the InChIKey of 2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol?
The InChIKey is FKBAMVVHEFHHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-6-10-9(7-11(8)17)15-12(16(10)2)13(14)4-3-5-13/h6-7,17H,3-5,14H2,1-2H3.
What are the key properties of 2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol?
2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol has a molecular weight of 231.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol is sourced from PubChem (CID 70793469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).