formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol

C18H27N3O4 — CID 154917007

IUPACformic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol
SMILESCCCOc1ccccc1CN(CCO)Cc1cnc(C)[nH]1.O=CO
InChIInChI=1S/C17H25N3O2.CH2O2/c1-3-10-22-17-7-5-4-6-15(17)12-20(8-9-21)13-16-11-18-14(2)19-16;2-1-3/h4-7,11,21H,3,8-10,12-13H2,1-2H3,(H,18,19);1H,(H,2,3)
InChIKeyLNGLFZPBQSWSCI-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.20
Rot. Bonds9

About formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol

formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol (PubChem CID 154917007) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Nameformic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol
PubChem CID154917007
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nameformic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol
SMILESCCCOc1ccccc1CN(CCO)Cc1cnc(C)[nH]1.O=CO
InChIInChI=1S/C17H25N3O2.CH2O2/c1-3-10-22-17-7-5-4-6-15(17)12-20(8-9-21)13-16-11-18-14(2)19-16;2-1-3/h4-7,11,21H,3,8-10,12-13H2,1-2H3,(H,18,19);1H,(H,2,3)
InChIKeyLNGLFZPBQSWSCI-UHFFFAOYSA-N
XLogP2.20
TPSA98.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 154916330
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CID 135120698
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CID 135089012
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CID 137334924
3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135094045
N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol?
The IUPAC name of formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol (CID 154917007) is formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol is CCCOc1ccccc1CN(CCO)Cc1cnc(C)[nH]1.O=CO.
What is the InChIKey of formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol?
The InChIKey is LNGLFZPBQSWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.CH2O2/c1-3-10-22-17-7-5-4-6-15(17)12-20(8-9-21)13-16-11-18-14(2)19-16;2-1-3/h4-7,11,21H,3,8-10,12-13H2,1-2H3,(H,18,19);1H,(H,2,3).
What are the key properties of formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol?
formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol has a molecular weight of 349.43 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 154917007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).