2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine

C22H24N2S — CID 59176726

IUPAC2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine
SMILESCc1ccn2c(Cc3csc4cccc(C)c34)c(C(C)(C)C)nc2c1
InChIInChI=1S/C22H24N2S/c1-14-9-10-24-17(21(22(3,4)5)23-19(24)11-14)12-16-13-25-18-8-6-7-15(2)20(16)18/h6-11,13H,12H2,1-5H3
InChIKeyRUXKDERCHNFSIY-UHFFFAOYSA-N
MW348.52 g/mol
LogP6.05
Rot. Bonds2

About 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine

2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 59176726) has the molecular formula C22H24N2S and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID59176726
Molecular FormulaC22H24N2S
Molecular Weight348.52 g/mol
Exact Mass348.17
IUPAC Name2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine
SMILESCc1ccn2c(Cc3csc4cccc(C)c34)c(C(C)(C)C)nc2c1
InChIInChI=1S/C22H24N2S/c1-14-9-10-24-17(21(22(3,4)5)23-19(24)11-14)12-16-13-25-18-8-6-7-15(2)20(16)18/h6-11,13H,12H2,1-5H3
InChIKeyRUXKDERCHNFSIY-UHFFFAOYSA-N
XLogP6.05
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-tert-butyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine-7-carbonitrile
CID 59176752
(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82029708
1-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine
CID 39146035
2-tert-butyl-3-iodo-7-methylimidazo[1,2-a]pyridine
CID 10543240
1-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029631
4-[[6-methoxy-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]amino]butanoic acid
CID 24899536
3-(ethoxymethyl)-4-methyl-1-benzothiophene
CID 117184524
(2-tert-butyl-7-chloroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82343232
2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide
CID 82030227
N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117184526
2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine
CID 176738940
(4-methyl-1-benzothiophen-3-yl)methyl 2,2,2-trifluoroacetate
CID 11208073

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine (CID 59176726) is 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine is Cc1ccn2c(Cc3csc4cccc(C)c34)c(C(C)(C)C)nc2c1.
What is the InChIKey of 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is RUXKDERCHNFSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2S/c1-14-9-10-24-17(21(22(3,4)5)23-19(24)11-14)12-16-13-25-18-8-6-7-15(2)20(16)18/h6-11,13H,12H2,1-5H3.
What are the key properties of 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine?
2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 348.52 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 59176726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).