formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol

C14H20N4O3 — CID 154916330

IUPACformic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol
SMILESCc1ncc(CN(CCO)Cc2ccncc2)[nH]1.O=CO
InChIInChI=1S/C13H18N4O.CH2O2/c1-11-15-8-13(16-11)10-17(6-7-18)9-12-2-4-14-5-3-12;2-1-3/h2-5,8,18H,6-7,9-10H2,1H3,(H,15,16);1H,(H,2,3)
InChIKeyHNPWRYFZYSZGNH-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.81
Rot. Bonds6

About formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol

formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol (PubChem CID 154916330) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Nameformic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol
PubChem CID154916330
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Nameformic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol
SMILESCc1ncc(CN(CCO)Cc2ccncc2)[nH]1.O=CO
InChIInChI=1S/C13H18N4O.CH2O2/c1-11-15-8-13(16-11)10-17(6-7-18)9-12-2-4-14-5-3-12;2-1-3/h2-5,8,18H,6-7,9-10H2,1H3,(H,15,16);1H,(H,2,3)
InChIKeyHNPWRYFZYSZGNH-UHFFFAOYSA-N
XLogP0.81
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.81
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

formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol
CID 154917007
2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 137335185
2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135120698
2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135118126
2-[2,1,3-benzoxadiazol-4-ylmethyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135090448
2-[2-chloro-4-[[2-hydroxyethyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]methyl]phenoxy]acetamide
CID 137345213
2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 137334924
2-[(2-fluoro-4,5-dimethoxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135106583
2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135089012
N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
CID 137340944
2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol
CID 135108470
2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
CID 166268185

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol?
The IUPAC name of formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol (CID 154916330) is formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol.
What is the SMILES notation for formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol?
The canonical SMILES for formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol is Cc1ncc(CN(CCO)Cc2ccncc2)[nH]1.O=CO.
What is the InChIKey of formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol?
The InChIKey is HNPWRYFZYSZGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.CH2O2/c1-11-15-8-13(16-11)10-17(6-7-18)9-12-2-4-14-5-3-12;2-1-3/h2-5,8,18H,6-7,9-10H2,1H3,(H,15,16);1H,(H,2,3).
What are the key properties of formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol?
formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol has a molecular weight of 292.34 g/mol, XLogP of 0.81, 6 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-(pyridin-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 154916330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).