2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol

C12H14BrN3O — CID 60783807

IUPAC2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol
SMILESNC(CO)c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C12H14BrN3O/c13-7-1-4-11-10(5-7)15-12(9(14)6-17)16(11)8-2-3-8/h1,4-5,8-9,17H,2-3,6,14H2
InChIKeyLOJSWGSIHODHQJ-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.13
Rot. Bonds3

About 2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol

2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol (PubChem CID 60783807) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol
PubChem CID60783807
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol
SMILESNC(CO)c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C12H14BrN3O/c13-7-1-4-11-10(5-7)15-12(9(14)6-17)16(11)8-2-3-8/h1,4-5,8-9,17H,2-3,6,14H2
InChIKeyLOJSWGSIHODHQJ-UHFFFAOYSA-N
XLogP2.13
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920295
1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 54920296
2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 113316662
(5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115288605
5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole
CID 60783340
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450560
2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427812
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896
ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate
CID 79475112
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
CID 60783970

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol?
The IUPAC name of 2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol (CID 60783807) is 2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol is NC(CO)c1nc2cc(Br)ccc2n1C1CC1.
What is the InChIKey of 2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol?
The InChIKey is LOJSWGSIHODHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c13-7-1-4-11-10(5-7)15-12(9(14)6-17)16(11)8-2-3-8/h1,4-5,8-9,17H,2-3,6,14H2.
What are the key properties of 2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol?
2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol has a molecular weight of 296.17 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 60783807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).