2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol

C13H21N5O — CID 91842946

IUPAC2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol
SMILESCc1ccnn1CCN(CCO)Cc1nccn1C
InChIInChI=1S/C13H21N5O/c1-12-3-4-15-18(12)8-7-17(9-10-19)11-13-14-5-6-16(13)2/h3-6,19H,7-11H2,1-2H3
InChIKeyCEDJTCLSXRLZNO-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.42
Rot. Bonds7

About 2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol

2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol (PubChem CID 91842946) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol
PubChem CID91842946
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol
SMILESCc1ccnn1CCN(CCO)Cc1nccn1C
InChIInChI=1S/C13H21N5O/c1-12-3-4-15-18(12)8-7-17(9-10-19)11-13-14-5-6-16(13)2/h3-6,19H,7-11H2,1-2H3
InChIKeyCEDJTCLSXRLZNO-UHFFFAOYSA-N
XLogP0.42
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 91759618
2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 56857963
3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 111107299
2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 72882917
1-[2-[bis[(1-methylimidazol-2-yl)methyl]amino]ethyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 66810197
ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate
CID 11197077
2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylindol-1-yl)propanamide
CID 46992356
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131926635
N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 118790858
2-[(1-methylimidazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79277151
2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531217

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol (CID 91842946) is 2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol is Cc1ccnn1CCN(CCO)Cc1nccn1C.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol?
The InChIKey is CEDJTCLSXRLZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-12-3-4-15-18(12)8-7-17(9-10-19)11-13-14-5-6-16(13)2/h3-6,19H,7-11H2,1-2H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol?
2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol has a molecular weight of 263.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol is sourced from PubChem (CID 91842946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).