N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine

C22H31N3O — CID 91334232

IUPACN-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine
SMILESc1ccc(OC(C2CCC(NC3CCCCC3)CC2)n2ccnc2)cc1
InChIInChI=1S/C22H31N3O/c1-3-7-19(8-4-1)24-20-13-11-18(12-14-20)22(25-16-15-23-17-25)26-21-9-5-2-6-10-21/h2,5-6,9-10,15-20,22,24H,1,3-4,7-8,11-14H2
InChIKeyVZLMCDMKKLASKR-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.94
Rot. Bonds6

About N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine

N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine (PubChem CID 91334232) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine
PubChem CID91334232
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine
SMILESc1ccc(OC(C2CCC(NC3CCCCC3)CC2)n2ccnc2)cc1
InChIInChI=1S/C22H31N3O/c1-3-7-19(8-4-1)24-20-13-11-18(12-14-20)22(25-16-15-23-17-25)26-21-9-5-2-6-10-21/h2,5-6,9-10,15-20,22,24H,1,3-4,7-8,11-14H2
InChIKeyVZLMCDMKKLASKR-UHFFFAOYSA-N
XLogP4.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine?
The IUPAC name of N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine (CID 91334232) is N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine?
The canonical SMILES for N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine is c1ccc(OC(C2CCC(NC3CCCCC3)CC2)n2ccnc2)cc1.
What is the InChIKey of N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine?
The InChIKey is VZLMCDMKKLASKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-3-7-19(8-4-1)24-20-13-11-18(12-14-20)22(25-16-15-23-17-25)26-21-9-5-2-6-10-21/h2,5-6,9-10,15-20,22,24H,1,3-4,7-8,11-14H2.
What are the key properties of N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine?
N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine has a molecular weight of 353.51 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[imidazol-1-yl(phenoxy)methyl]cyclohexan-1-amine is sourced from PubChem (CID 91334232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).