(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol

C10H11N3O3 — CID 676758

IUPAC(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol
SMILESC[C@@H](O)c1nc2cc([N+](=O)[O-])ccc2n1C
InChIInChI=1S/C10H11N3O3/c1-6(14)10-11-8-5-7(13(15)16)3-4-9(8)12(10)2/h3-6,14H,1-2H3/t6-/m1/s1
InChIKeyFEZKCWBNANSUJS-ZCFIWIBFSA-N
MW221.22 g/mol
LogP1.53
Rot. Bonds2

About (1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol

(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol (PubChem CID 676758) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol
PubChem CID676758
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol
SMILESC[C@@H](O)c1nc2cc([N+](=O)[O-])ccc2n1C
InChIInChI=1S/C10H11N3O3/c1-6(14)10-11-8-5-7(13(15)16)3-4-9(8)12(10)2/h3-6,14H,1-2H3/t6-/m1/s1
InChIKeyFEZKCWBNANSUJS-ZCFIWIBFSA-N
XLogP1.53
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-hydroxy-4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate
CID 141237772
1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315
1-(7-nitroquinolin-3-yl)ethanol
CID 133054214
1-(5-nitroindol-1-yl)ethanol
CID 141070113
N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]acetamide
CID 1248032
[1-[(2R)-butan-2-yl]-5-nitrobenzimidazol-2-yl]methanol
CID 40589856
(1R)-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethanol
CID 673173
1-(5-nitroindol-1-yl)propan-2-ol
CID 116619106
4-[(1-methyl-5-nitrobenzimidazol-2-yl)methylamino]benzonitrile
CID 11034153
1-methyl-5-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)benzimidazole
CID 4207420
ethane;5-nitro-1-propan-2-ylindole
CID 143287721
6-nitro-1-propan-2-yloxybenzotriazole
CID 155766313

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol?
The IUPAC name of (1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol (CID 676758) is (1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol is C[C@@H](O)c1nc2cc([N+](=O)[O-])ccc2n1C.
What is the InChIKey of (1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol?
The InChIKey is FEZKCWBNANSUJS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6(14)10-11-8-5-7(13(15)16)3-4-9(8)12(10)2/h3-6,14H,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol?
(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol has a molecular weight of 221.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol is sourced from PubChem (CID 676758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).