[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol

C18H24N4O — CID 168630764

IUPAC[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol
SMILESCc1cn(N=Cc2cccc(C3(CO)CCCCC3)c2)c(N)n1
InChIInChI=1S/C18H24N4O/c1-14-12-22(17(19)21-14)20-11-15-6-5-7-16(10-15)18(13-23)8-3-2-4-9-18/h5-7,10-12,23H,2-4,8-9,13H2,1H3,(H2,19,21)
InChIKeyXSVSGECKCQFPEI-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.85
Rot. Bonds4

About [1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol

[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol (PubChem CID 168630764) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol
PubChem CID168630764
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol
SMILESCc1cn(N=Cc2cccc(C3(CO)CCCCC3)c2)c(N)n1
InChIInChI=1S/C18H24N4O/c1-14-12-22(17(19)21-14)20-11-15-6-5-7-16(10-15)18(13-23)8-3-2-4-9-18/h5-7,10-12,23H,2-4,8-9,13H2,1H3,(H2,19,21)
InChIKeyXSVSGECKCQFPEI-UHFFFAOYSA-N
XLogP2.85
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol?
The IUPAC name of [1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol (CID 168630764) is [1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol?
The canonical SMILES for [1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol is Cc1cn(N=Cc2cccc(C3(CO)CCCCC3)c2)c(N)n1.
What is the InChIKey of [1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol?
The InChIKey is XSVSGECKCQFPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-12-22(17(19)21-14)20-11-15-6-5-7-16(10-15)18(13-23)8-3-2-4-9-18/h5-7,10-12,23H,2-4,8-9,13H2,1H3,(H2,19,21).
What are the key properties of [1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol?
[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol has a molecular weight of 312.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol is sourced from PubChem (CID 168630764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).