2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol

C16H27N5O — CID 71375570

IUPAC2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
SMILESCCc1nc(CN(CCO)Cc2nc(CC)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C16H27N5O/c1-5-15-17-11(3)13(19-15)9-21(7-8-22)10-14-12(4)18-16(6-2)20-14/h22H,5-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyFNGUVCJADZAMBQ-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.87
Rot. Bonds8

About 2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol

2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol (PubChem CID 71375570) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
PubChem CID71375570
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
SMILESCCc1nc(CN(CCO)Cc2nc(CC)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C16H27N5O/c1-5-15-17-11(3)13(19-15)9-21(7-8-22)10-14-12(4)18-16(6-2)20-14/h22H,5-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyFNGUVCJADZAMBQ-UHFFFAOYSA-N
XLogP1.87
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol (CID 71375570) is 2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol is CCc1nc(CN(CCO)Cc2nc(CC)[nH]c2C)c(C)[nH]1.
What is the InChIKey of 2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
The InChIKey is FNGUVCJADZAMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-5-15-17-11(3)13(19-15)9-21(7-8-22)10-14-12(4)18-16(6-2)20-14/h22H,5-10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol has a molecular weight of 305.43 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 71375570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).