1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol

C21H41N3O2 — CID 139677210

IUPAC1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol
SMILESCC(C)CCCC(C)CCCC(C)(O)C(O)Cn1ccnc1CN(C)C
InChIInChI=1S/C21H41N3O2/c1-17(2)9-7-10-18(3)11-8-12-21(4,26)19(25)15-24-14-13-22-20(24)16-23(5)6/h13-14,17-19,25-26H,7-12,15-16H2,1-6H3
InChIKeyRGMRALLBWSXLMP-UHFFFAOYSA-N
MW367.58 g/mol
LogP3.69
Rot. Bonds13

About 1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol

1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol (PubChem CID 139677210) has the molecular formula C21H41N3O2 and a molecular weight of 367.58 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol
PubChem CID139677210
Molecular FormulaC21H41N3O2
Molecular Weight367.58 g/mol
Exact Mass367.32
IUPAC Name1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol
SMILESCC(C)CCCC(C)CCCC(C)(O)C(O)Cn1ccnc1CN(C)C
InChIInChI=1S/C21H41N3O2/c1-17(2)9-7-10-18(3)11-8-12-21(4,26)19(25)15-24-14-13-22-20(24)16-23(5)6/h13-14,17-19,25-26H,7-12,15-16H2,1-6H3
InChIKeyRGMRALLBWSXLMP-UHFFFAOYSA-N
XLogP3.69
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-Imidazol-1-yldodecan-2-ol
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1-(1,2-Dihydroxypropyl)-3-hexadecylimidazolium bromide
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(2R)-1-(3-tetradecylimidazol-1-ium-1-yl)tetradecan-2-ol bromide
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CID 105098503

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol?
The IUPAC name of 1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol (CID 139677210) is 1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol is CC(C)CCCC(C)CCCC(C)(O)C(O)Cn1ccnc1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol?
The InChIKey is RGMRALLBWSXLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O2/c1-17(2)9-7-10-18(3)11-8-12-21(4,26)19(25)15-24-14-13-22-20(24)16-23(5)6/h13-14,17-19,25-26H,7-12,15-16H2,1-6H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol?
1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol has a molecular weight of 367.58 g/mol, XLogP of 3.69, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol is sourced from PubChem (CID 139677210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).