1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol

C13H16BrN3O — CID 54920296

IUPAC1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
SMILESCC(O)C(N)c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C13H16BrN3O/c1-7(18)12(15)13-16-10-6-8(14)2-5-11(10)17(13)9-3-4-9/h2,5-7,9,12,18H,3-4,15H2,1H3
InChIKeyFEVVUNCNDXOGME-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.51
Rot. Bonds3

About 1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol

1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol (PubChem CID 54920296) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
PubChem CID54920296
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
SMILESCC(O)C(N)c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C13H16BrN3O/c1-7(18)12(15)13-16-10-6-8(14)2-5-11(10)17(13)9-3-4-9/h2,5-7,9,12,18H,3-4,15H2,1H3
InChIKeyFEVVUNCNDXOGME-UHFFFAOYSA-N
XLogP2.51
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol (CID 54920296) is 1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol is CC(O)C(N)c1nc2cc(Br)ccc2n1C1CC1.
What is the InChIKey of 1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is FEVVUNCNDXOGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-7(18)12(15)13-16-10-6-8(14)2-5-11(10)17(13)9-3-4-9/h2,5-7,9,12,18H,3-4,15H2,1H3.
What are the key properties of 1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol?
1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 310.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 54920296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).