7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine

C15H13N3O2S — CID 54457383

IUPAC7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(CSc3ccc([N+](=O)[O-])cc3)nc2c1
InChIInChI=1S/C15H13N3O2S/c1-11-6-7-17-9-12(16-15(17)8-11)10-21-14-4-2-13(3-5-14)18(19)20/h2-9H,10H2,1H3
InChIKeyWZEAKAMYAVYLDB-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.84
Rot. Bonds4

About 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine

7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 54457383) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID54457383
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(CSc3ccc([N+](=O)[O-])cc3)nc2c1
InChIInChI=1S/C15H13N3O2S/c1-11-6-7-17-9-12(16-15(17)8-11)10-21-14-4-2-13(3-5-14)18(19)20/h2-9H,10H2,1H3
InChIKeyWZEAKAMYAVYLDB-UHFFFAOYSA-N
XLogP3.84
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 69420545
2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 82055270
1-methyl-4-[(4-nitrophenyl)methylsulfanyl]benzene
CID 4247940
(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 26781814
2-(4-nitrophenyl)sulfanylethane-1,1-diol
CID 71154077
6-[(4-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 79239480
4-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]phenol
CID 117135218
2-chloro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 154856521
[2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine
CID 79259218
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]propane-1-sulfonamide
CID 22517221
2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234062
3-methyl-7-nitropyrido[1,2-a]benzimidazole
CID 2972009

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 54457383) is 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1ccn2cc(CSc3ccc([N+](=O)[O-])cc3)nc2c1.
What is the InChIKey of 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is WZEAKAMYAVYLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-11-6-7-17-9-12(16-15(17)8-11)10-21-14-4-2-13(3-5-14)18(19)20/h2-9H,10H2,1H3.
What are the key properties of 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 299.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 54457383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).