2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol

C14H22N4O2 — CID 101390378

IUPAC2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol
SMILESCCn1ccnc1CC(CO)(CO)Cc1nccn1C
InChIInChI=1S/C14H22N4O2/c1-3-18-7-5-16-13(18)9-14(10-19,11-20)8-12-15-4-6-17(12)2/h4-7,19-20H,3,8-11H2,1-2H3
InChIKeyWLHSMJKQNDSNCK-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.39
Rot. Bonds7

About 2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol

2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol (PubChem CID 101390378) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol
PubChem CID101390378
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol
SMILESCCn1ccnc1CC(CO)(CO)Cc1nccn1C
InChIInChI=1S/C14H22N4O2/c1-3-18-7-5-16-13(18)9-14(10-19,11-20)8-12-15-4-6-17(12)2/h4-7,19-20H,3,8-11H2,1-2H3
InChIKeyWLHSMJKQNDSNCK-UHFFFAOYSA-N
XLogP0.39
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol
CID 101390379
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
CID 114865873
3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 175409591
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79744678
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol
CID 79744037
1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312573
2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79737849
4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol
CID 79760958
1-ethyl-2-(2-methoxyethyl)imidazole
CID 175783525
2-(4-bromo-2,2-dimethylpentyl)-1-ethylimidazole
CID 79762188

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol (CID 101390378) is 2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol is CCn1ccnc1CC(CO)(CO)Cc1nccn1C.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol?
The InChIKey is WLHSMJKQNDSNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18-7-5-16-13(18)9-14(10-19,11-20)8-12-15-4-6-17(12)2/h4-7,19-20H,3,8-11H2,1-2H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol?
2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol has a molecular weight of 278.36 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 101390378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).