1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol

C12H16BrN3O — CID 139447788

IUPAC1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol
SMILESCc1cc2c(cc1Br)nc(N)n2CC(C)(C)O
InChIInChI=1S/C12H16BrN3O/c1-7-4-10-9(5-8(7)13)15-11(14)16(10)6-12(2,3)17/h4-5,17H,6H2,1-3H3,(H2,14,15)
InChIKeyLHPBMSBZSHEBNZ-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.46
Rot. Bonds2

About 1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol

1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol (PubChem CID 139447788) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol
PubChem CID139447788
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol
SMILESCc1cc2c(cc1Br)nc(N)n2CC(C)(C)O
InChIInChI=1S/C12H16BrN3O/c1-7-4-10-9(5-8(7)13)15-11(14)16(10)6-12(2,3)17/h4-5,17H,6H2,1-3H3,(H2,14,15)
InChIKeyLHPBMSBZSHEBNZ-UHFFFAOYSA-N
XLogP2.46
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol (CID 139447788) is 1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol is Cc1cc2c(cc1Br)nc(N)n2CC(C)(C)O.
What is the InChIKey of 1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is LHPBMSBZSHEBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-7-4-10-9(5-8(7)13)15-11(14)16(10)6-12(2,3)17/h4-5,17H,6H2,1-3H3,(H2,14,15).
What are the key properties of 1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol?
1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 298.18 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-6-methylbenzimidazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 139447788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).