3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol

C12H17N3O — CID 107835396

IUPAC3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol
SMILESCc1ccc2c(c1)nc(C(O)CCN)n2C
InChIInChI=1S/C12H17N3O/c1-8-3-4-10-9(7-8)14-12(15(10)2)11(16)5-6-13/h3-4,7,11,16H,5-6,13H2,1-2H3
InChIKeyNXKRALKRJRPXKL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.26
Rot. Bonds3

About 3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol

3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol (PubChem CID 107835396) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol
PubChem CID107835396
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol
SMILESCc1ccc2c(c1)nc(C(O)CCN)n2C
InChIInChI=1S/C12H17N3O/c1-8-3-4-10-9(7-8)14-12(15(10)2)11(16)5-6-13/h3-4,7,11,16H,5-6,13H2,1-2H3
InChIKeyNXKRALKRJRPXKL-UHFFFAOYSA-N
XLogP1.26
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol (CID 107835396) is 3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol is Cc1ccc2c(c1)nc(C(O)CCN)n2C.
What is the InChIKey of 3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is NXKRALKRJRPXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-3-4-10-9(7-8)14-12(15(10)2)11(16)5-6-13/h3-4,7,11,16H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol?
3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 219.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 107835396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).