formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol

C21H25N3O4 — CID 154917736

IUPACformic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol
SMILESO=CO.OCCN(Cc1ncc[nH]1)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C20H23N3O2.CH2O2/c24-13-12-23(15-20-21-10-11-22-20)14-18-8-4-5-9-19(18)25-16-17-6-2-1-3-7-17;2-1-3/h1-11,24H,12-16H2,(H,21,22);1H,(H,2,3)
InChIKeyNTGGNFWASKJXAH-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.68
Rot. Bonds9

About formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol

formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol (PubChem CID 154917736) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Nameformic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol
PubChem CID154917736
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nameformic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol
SMILESO=CO.OCCN(Cc1ncc[nH]1)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C20H23N3O2.CH2O2/c24-13-12-23(15-20-21-10-11-22-20)14-18-8-4-5-9-19(18)25-16-17-6-2-1-3-7-17;2-1-3/h1-11,24H,12-16H2,(H,21,22);1H,(H,2,3)
InChIKeyNTGGNFWASKJXAH-UHFFFAOYSA-N
XLogP2.68
TPSA98.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.68
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

2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418
2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 137341868
2-[2-chloro-4-[[2-hydroxyethyl(1H-imidazol-2-ylmethyl)amino]methyl]-6-methoxyphenoxy]acetic acid;formic acid
CID 154916913
2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol
CID 135097925
formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxyphenyl)methyl]amino]ethanol
CID 154917007
2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 135111454
4-[[2-(1H-imidazol-2-ylmethyl)phenoxy]methyl]benzonitrile
CID 70478494
(2S)-2-amino-4-[bis[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]amino]butanoic acid
CID 127036014
2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol
CID 135114004
(2R)-2-amino-4-[bis[[2-(pyridin-3-ylmethoxy)phenyl]methyl]amino]butanoic acid
CID 155922207
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 46985889
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol?
The IUPAC name of formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol (CID 154917736) is formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol is O=CO.OCCN(Cc1ncc[nH]1)Cc1ccccc1OCc1ccccc1.
What is the InChIKey of formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol?
The InChIKey is NTGGNFWASKJXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.CH2O2/c24-13-12-23(15-20-21-10-11-22-20)14-18-8-4-5-9-19(18)25-16-17-6-2-1-3-7-17;2-1-3/h1-11,24H,12-16H2,(H,21,22);1H,(H,2,3).
What are the key properties of formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol?
formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol has a molecular weight of 383.45 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 154917736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).