1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine

C14H19N3O2S — CID 43650551

IUPAC1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCCCC(N)c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1
InChIInChI=1S/C14H19N3O2S/c1-3-4-12(15)14-16-9-13(17-14)10-5-7-11(8-6-10)20(2,18)19/h5-9,12H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyDGVXQDWZGVXBSO-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.28
Rot. Bonds5

About 1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine

1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine (PubChem CID 43650551) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine
PubChem CID43650551
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCCCC(N)c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1
InChIInChI=1S/C14H19N3O2S/c1-3-4-12(15)14-16-9-13(17-14)10-5-7-11(8-6-10)20(2,18)19/h5-9,12H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyDGVXQDWZGVXBSO-UHFFFAOYSA-N
XLogP2.28
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 62475459
1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43650518
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60853947
(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214436
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60841056
1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62477508
3-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881794
(1R)-3-phenyl-1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-1-amine;hydrochloride
CID 159178971
5-(4-ethylsulfonylphenyl)-1H-imidazole-2-carbonitrile
CID 116879916
5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole
CID 177226910
1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine
CID 43651692
2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881536

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine (CID 43650551) is 1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine is CCCC(N)c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1.
What is the InChIKey of 1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is DGVXQDWZGVXBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-4-12(15)14-16-9-13(17-14)10-5-7-11(8-6-10)20(2,18)19/h5-9,12H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine?
1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 293.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 43650551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).