4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine

C16H22N4 — CID 62318506

IUPAC4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C16H22N4/c17-14-3-5-15(6-4-14)19-11-13-1-7-16(8-2-13)20-10-9-18-12-20/h1-2,7-10,12,14-15,19H,3-6,11,17H2
InChIKeyXJQPXSWAOULJOY-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.23
Rot. Bonds4

About 4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine

4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine (PubChem CID 62318506) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
PubChem CID62318506
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C16H22N4/c17-14-3-5-15(6-4-14)19-11-13-1-7-16(8-2-13)20-10-9-18-12-20/h1-2,7-10,12,14-15,19H,3-6,11,17H2
InChIKeyXJQPXSWAOULJOY-UHFFFAOYSA-N
XLogP2.23
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51086166
N-[(4-imidazol-1-ylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43222635
N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587926
N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615497
(6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95311283
3-[(4-imidazol-1-ylphenyl)methylamino]azepan-2-one
CID 43782037
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43220337
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95338340
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
1-(1,1-dioxothiolan-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]methanamine
CID 60733553
N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594086

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine (CID 62318506) is 4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine is NC1CCC(NCc2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is XJQPXSWAOULJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-14-3-5-15(6-4-14)19-11-13-1-7-16(8-2-13)20-10-9-18-12-20/h1-2,7-10,12,14-15,19H,3-6,11,17H2.
What are the key properties of 4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine?
4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62318506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).