2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole

C17H18N4O — CID 141430289

IUPAC2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole
SMILESCc1ccc(-c2ncc([C@@H]3CCCO3)[nH]2)cc1-n1ccnc1
InChIInChI=1S/C17H18N4O/c1-12-4-5-13(9-15(12)21-7-6-18-11-21)17-19-10-14(20-17)16-3-2-8-22-16/h4-7,9-11,16H,2-3,8H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyFJLNQICLSYZEOK-INIZCTEOSA-N
MW294.36 g/mol
LogP3.42
Rot. Bonds3

About 2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole

2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole (PubChem CID 141430289) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole
PubChem CID141430289
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole
SMILESCc1ccc(-c2ncc([C@@H]3CCCO3)[nH]2)cc1-n1ccnc1
InChIInChI=1S/C17H18N4O/c1-12-4-5-13(9-15(12)21-7-6-18-11-21)17-19-10-14(20-17)16-3-2-8-22-16/h4-7,9-11,16H,2-3,8H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyFJLNQICLSYZEOK-INIZCTEOSA-N
XLogP3.42
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-imidazol-1-yl-4-methylphenyl)-5-(oxan-3-ylmethyl)-1H-pyrazole
CID 141430291
3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine
CID 141430298
2-bromo-5-(oxolan-2-yl)-1H-imidazole
CID 115029847
1-[[4-(3-imidazol-1-yl-4-methylphenyl)phenyl]methyl]benzimidazole
CID 130177821
2-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]-6-methylpyridine
CID 141360624
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136686
6-imidazol-1-yl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine
CID 95635195
4-[5-(oxolan-2-yl)-1H-imidazol-2-yl]piperidine
CID 115032869
(2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95282583
1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3419938
1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide
CID 170287229
3-methyl-4-[5-[(2S)-oxolan-2-yl]-3-propan-2-yl-1,2,4-triazol-1-yl]pyridine
CID 95125083

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole?
The IUPAC name of 2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole (CID 141430289) is 2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole.
What is the SMILES notation for 2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole?
The canonical SMILES for 2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole is Cc1ccc(-c2ncc([C@@H]3CCCO3)[nH]2)cc1-n1ccnc1.
What is the InChIKey of 2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole?
The InChIKey is FJLNQICLSYZEOK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-4-5-13(9-15(12)21-7-6-18-11-21)17-19-10-14(20-17)16-3-2-8-22-16/h4-7,9-11,16H,2-3,8H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of 2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole?
2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole has a molecular weight of 294.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-imidazole is sourced from PubChem (CID 141430289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).