2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C17H27N5O — CID 91831063

IUPAC2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)Cc1cncn1C1CCCCC1
InChIInChI=1S/C17H27N5O/c1-20-8-7-19-17(20)13-21(9-10-23)12-16-11-18-14-22(16)15-5-3-2-4-6-15/h7-8,11,14-15,23H,2-6,9-10,12-13H2,1H3
InChIKeyVHXMRVFTYVJQDK-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.12
Rot. Bonds7

About 2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 91831063) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID91831063
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)Cc1cncn1C1CCCCC1
InChIInChI=1S/C17H27N5O/c1-20-8-7-19-17(20)13-21(9-10-23)12-16-11-18-14-22(16)15-5-3-2-4-6-15/h7-8,11,14-15,23H,2-6,9-10,12-13H2,1H3
InChIKeyVHXMRVFTYVJQDK-UHFFFAOYSA-N
XLogP2.12
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 91831063) is 2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is Cn1ccnc1CN(CCO)Cc1cncn1C1CCCCC1.
What is the InChIKey of 2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is VHXMRVFTYVJQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-20-8-7-19-17(20)13-21(9-10-23)12-16-11-18-14-22(16)15-5-3-2-4-6-15/h7-8,11,14-15,23H,2-6,9-10,12-13H2,1H3.
What are the key properties of 2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 317.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexylimidazol-4-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 91831063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).