[3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine

C23H24N4S — CID 54200381

IUPAC[3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cncn2Cc2cnc(-c3cscc3C)c(C)c2)cc1
InChIInChI=1S/C23H24N4S/c1-15-4-6-19(7-5-15)22(24)21-10-25-14-27(21)11-18-8-16(2)23(26-9-18)20-13-28-12-17(20)3/h4-10,12-14,22H,11,24H2,1-3H3
InChIKeyPOUYFADGJPPLSW-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.03
Rot. Bonds5

About [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine

[3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine (PubChem CID 54200381) has the molecular formula C23H24N4S and a molecular weight of 388.54 g/mol. Its IUPAC name is [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name[3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine
PubChem CID54200381
Molecular FormulaC23H24N4S
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Name[3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cncn2Cc2cnc(-c3cscc3C)c(C)c2)cc1
InChIInChI=1S/C23H24N4S/c1-15-4-6-19(7-5-15)22(24)21-10-25-14-27(21)11-18-8-16(2)23(26-9-18)20-13-28-12-17(20)3/h4-10,12-14,22H,11,24H2,1-3H3
InChIKeyPOUYFADGJPPLSW-UHFFFAOYSA-N
XLogP5.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine with MolForge

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Related Compounds

[3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol
CID 54191891
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114704846
(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 104943054
(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942333
phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine
CID 114705145
[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 106040980
2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444278
(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942801
(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942663
[2-methyl-4-(4-methylphenyl)phenyl]-[3-[(3-methylphenyl)methyl]imidazol-4-yl]methanol
CID 54432683
[3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine
CID 114703207
1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969656

Frequently Asked Questions

What is the IUPAC name of [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine?
The IUPAC name of [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine (CID 54200381) is [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine.
What is the SMILES notation for [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine?
The canonical SMILES for [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine is Cc1ccc(C(N)c2cncn2Cc2cnc(-c3cscc3C)c(C)c2)cc1.
What is the InChIKey of [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine?
The InChIKey is POUYFADGJPPLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4S/c1-15-4-6-19(7-5-15)22(24)21-10-25-14-27(21)11-18-8-16(2)23(26-9-18)20-13-28-12-17(20)3/h4-10,12-14,22H,11,24H2,1-3H3.
What are the key properties of [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine?
[3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine has a molecular weight of 388.54 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine is sourced from PubChem (CID 54200381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).