1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

C15H22N4 — CID 54913038

IUPAC1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1ccc(-n2ccnc2)cc1)N(C)C
InChIInChI=1S/C15H22N4/c1-13(18(2)3)10-17-11-14-4-6-15(7-5-14)19-9-8-16-12-19/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeyNLEMGLJXKGJKAJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.91
Rot. Bonds6

About 1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 54913038) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID54913038
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1ccc(-n2ccnc2)cc1)N(C)C
InChIInChI=1S/C15H22N4/c1-13(18(2)3)10-17-11-14-4-6-15(7-5-14)19-9-8-16-12-19/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeyNLEMGLJXKGJKAJ-UHFFFAOYSA-N
XLogP1.91
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781
1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
CID 111104787
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 54913038) is 1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNCc1ccc(-n2ccnc2)cc1)N(C)C.
What is the InChIKey of 1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is NLEMGLJXKGJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-13(18(2)3)10-17-11-14-4-6-15(7-5-14)19-9-8-16-12-19/h4-9,12-13,17H,10-11H2,1-3H3.
What are the key properties of 1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 54913038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).