(2R)-1-(2-methylimidazol-1-yl)propan-2-ol

C7H12N2O — CID 98111933

IUPAC(2R)-1-(2-methylimidazol-1-yl)propan-2-ol
SMILESCc1nccn1C[C@@H](C)O
InChIInChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3/t6-/m1/s1
InChIKeyVUFBCWUJICCKDU-ZCFIWIBFSA-N
MW140.19 g/mol
LogP0.57
Rot. Bonds2

About (2R)-1-(2-methylimidazol-1-yl)propan-2-ol

(2R)-1-(2-methylimidazol-1-yl)propan-2-ol (PubChem CID 98111933) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (2R)-1-(2-methylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methylimidazol-1-yl)propan-2-ol
PubChem CID98111933
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(2R)-1-(2-methylimidazol-1-yl)propan-2-ol
SMILESCc1nccn1C[C@@H](C)O
InChIInChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3/t6-/m1/s1
InChIKeyVUFBCWUJICCKDU-ZCFIWIBFSA-N
XLogP0.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71815
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2-Methyl-1H-imidazole-1-ethanol
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1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate
CID 11344909
N-(2-Hydroxyethyl)imidazole
CID 74168
(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
(18F)Fluoromisonidazole
CID 450173
1-(2-Hydroxyethyl)-2-methyl-5-aminoimidazole
CID 134701
2-Aminomisonidazole
CID 127524

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2-methylimidazol-1-yl)propan-2-ol (CID 98111933) is (2R)-1-(2-methylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methylimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2-methylimidazol-1-yl)propan-2-ol is Cc1nccn1C[C@@H](C)O.
What is the InChIKey of (2R)-1-(2-methylimidazol-1-yl)propan-2-ol?
The InChIKey is VUFBCWUJICCKDU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1-(2-methylimidazol-1-yl)propan-2-ol?
(2R)-1-(2-methylimidazol-1-yl)propan-2-ol has a molecular weight of 140.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 98111933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).