4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine

C20H28N4 — CID 167842489

IUPAC4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1(N2CCC2)CCC(NCc2ccccc2-n2ccnc2)CC1
InChIInChI=1S/C20H28N4/c1-20(24-12-4-13-24)9-7-18(8-10-20)22-15-17-5-2-3-6-19(17)23-14-11-21-16-23/h2-3,5-6,11,14,16,18,22H,4,7-10,12-13,15H2,1H3
InChIKeyKIFNHTRVEZBRFL-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.37
Rot. Bonds5

About 4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine

4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 167842489) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID167842489
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1(N2CCC2)CCC(NCc2ccccc2-n2ccnc2)CC1
InChIInChI=1S/C20H28N4/c1-20(24-12-4-13-24)9-7-18(8-10-20)22-15-17-5-2-3-6-19(17)23-14-11-21-16-23/h2-3,5-6,11,14,16,18,22H,4,7-10,12-13,15H2,1H3
InChIKeyKIFNHTRVEZBRFL-UHFFFAOYSA-N
XLogP3.37
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
CID 129369503
N-[(2-imidazol-1-ylphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 136559447
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
N-[(2-imidazol-1-ylphenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739044
1-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110959252
1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
CID 175241925
N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144335
N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide
CID 136578959
3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
CID 80706227
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
4-benzyl-N-[(2-imidazol-1-ylphenyl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 110960531

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine (CID 167842489) is 4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine is CC1(N2CCC2)CCC(NCc2ccccc2-n2ccnc2)CC1.
What is the InChIKey of 4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is KIFNHTRVEZBRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-20(24-12-4-13-24)9-7-18(8-10-20)22-15-17-5-2-3-6-19(17)23-14-11-21-16-23/h2-3,5-6,11,14,16,18,22H,4,7-10,12-13,15H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine?
4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 324.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 167842489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).