4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine

C15H21N3O2S — CID 106567157

IUPAC4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21N3O2S/c1-4-9-18-11-12(2)17-15(18)16-10-13-5-7-14(8-6-13)21(3,19)20/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyFDBGZPXVHNFZCD-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.62
Rot. Bonds6

About 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine

4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine (PubChem CID 106567157) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine
PubChem CID106567157
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21N3O2S/c1-4-9-18-11-12(2)17-15(18)16-10-13-5-7-14(8-6-13)21(3,19)20/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyFDBGZPXVHNFZCD-UHFFFAOYSA-N
XLogP2.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-methyl-N-(pyridin-4-ylmethyl)imidazol-2-amine
CID 106560389
1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
CID 106567350
N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106560515
N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554458
4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine
CID 106574476
4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine
CID 106581398
1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560922
4-methyl-N-propyl-1-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563289
N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine
CID 106561499
N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106565203
N,4-dimethyl-1-(4-methylsulfonylphenyl)imidazol-2-amine
CID 106558108
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 53499530

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine?
The IUPAC name of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine (CID 106567157) is 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine is CCCn1cc(C)nc1NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine?
The InChIKey is FDBGZPXVHNFZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-9-18-11-12(2)17-15(18)16-10-13-5-7-14(8-6-13)21(3,19)20/h5-8,11H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine?
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine has a molecular weight of 307.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine is sourced from PubChem (CID 106567157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).