(2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol

C15H20N2O — CID 57225300

IUPAC(2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol
SMILESCc1ccccc1CC[C@H]([C@H](C)O)n1ccnc1
InChIInChI=1S/C15H20N2O/c1-12-5-3-4-6-14(12)7-8-15(13(2)18)17-10-9-16-11-17/h3-6,9-11,13,15,18H,7-8H2,1-2H3/t13-,15+/m0/s1
InChIKeyBFMSGFYBCVIZNP-DZGCQCFKSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds5

About (2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol

(2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol (PubChem CID 57225300) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol
PubChem CID57225300
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol
SMILESCc1ccccc1CC[C@H]([C@H](C)O)n1ccnc1
InChIInChI=1S/C15H20N2O/c1-12-5-3-4-6-14(12)7-8-15(13(2)18)17-10-9-16-11-17/h3-6,9-11,13,15,18H,7-8H2,1-2H3/t13-,15+/m0/s1
InChIKeyBFMSGFYBCVIZNP-DZGCQCFKSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-ylhexan-2-ol
CID 174552394
1-(4-methyl-1-phenylpentan-3-yl)imidazole
CID 69408176
1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105098854
[3-(2,3-dimethylphenyl)-1-imidazol-1-ylpropyl] 3-methylbutyl carbonate
CID 69256817
4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine
CID 66460372
4-methyl-1-(2-methylphenyl)heptan-3-ol
CID 107894629
4-imidazol-1-yl-1-(2-methylphenyl)butan-2-one
CID 20518887
1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol
CID 105097163
1-imidazol-1-ylethanol
CID 18366448
N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide
CID 49052603
1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
CID 66447930
1-(3,6-dimethylhept-6-enyl)-2-methylbenzene
CID 176975448

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol?
The IUPAC name of (2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol (CID 57225300) is (2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol.
What is the SMILES notation for (2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol?
The canonical SMILES for (2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol is Cc1ccccc1CC[C@H]([C@H](C)O)n1ccnc1.
What is the InChIKey of (2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol?
The InChIKey is BFMSGFYBCVIZNP-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-5-3-4-6-14(12)7-8-15(13(2)18)17-10-9-16-11-17/h3-6,9-11,13,15,18H,7-8H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol?
(2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol is sourced from PubChem (CID 57225300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).