2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol

C15H25N5O — CID 135100792

IUPAC2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol
SMILESCCCCc1ncc(CN(CCO)Cc2cncn2C)[nH]1
InChIInChI=1S/C15H25N5O/c1-3-4-5-15-17-8-13(18-15)10-20(6-7-21)11-14-9-16-12-19(14)2/h8-9,12,21H,3-7,10-11H2,1-2H3,(H,17,18)
InChIKeyNKJQHSQGZGRITJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.48
Rot. Bonds9

About 2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol

2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol (PubChem CID 135100792) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol
PubChem CID135100792
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol
SMILESCCCCc1ncc(CN(CCO)Cc2cncn2C)[nH]1
InChIInChI=1S/C15H25N5O/c1-3-4-5-15-17-8-13(18-15)10-20(6-7-21)11-14-9-16-12-19(14)2/h8-9,12,21H,3-7,10-11H2,1-2H3,(H,17,18)
InChIKeyNKJQHSQGZGRITJ-UHFFFAOYSA-N
XLogP1.48
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methylimidazol-4-yl)methyl-(1H-pyrazol-5-ylmethyl)amino]ethanol
CID 135103253
2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol
CID 135120617
2-[(2-butan-2-yloxyphenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol
CID 135099559
2-butyl-5-propyl-1H-imidazole
CID 68810469
2-[carboxymethyl-[(3-methylimidazol-4-yl)methyl]amino]acetic acid
CID 66116320
2-(2-heptadecyl-1H-imidazol-5-yl)ethanol
CID 10617878
3-(3-methylimidazol-4-yl)propan-1-ol
CID 45087839
2-[(3-ethylimidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 66153386
ethane;1-methyl-5-propylimidazole
CID 143528029
N-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 46997289
1-[methyl-[(3-methylimidazol-4-yl)methyl]amino]propan-2-ol
CID 66141772
N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-chloro-N-propan-2-ylaniline
CID 59728205

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol (CID 135100792) is 2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol is CCCCc1ncc(CN(CCO)Cc2cncn2C)[nH]1.
What is the InChIKey of 2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol?
The InChIKey is NKJQHSQGZGRITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-4-5-15-17-8-13(18-15)10-20(6-7-21)11-14-9-16-12-19(14)2/h8-9,12,21H,3-7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol?
2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol has a molecular weight of 291.40 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butyl-1H-imidazol-5-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 135100792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).