2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine

C14H14ClN3S — CID 79294519

IUPAC2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(Cc1ccsc1)n1c(CCl)nc2cccnc21
InChIInChI=1S/C14H14ClN3S/c1-10(7-11-4-6-19-9-11)18-13(8-15)17-12-3-2-5-16-14(12)18/h2-6,9-10H,7-8H2,1H3
InChIKeyANEZXCQIYGNBBE-UHFFFAOYSA-N
MW291.81 g/mol
LogP4.04
Rot. Bonds4

About 2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 79294519) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine
PubChem CID79294519
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(Cc1ccsc1)n1c(CCl)nc2cccnc21
InChIInChI=1S/C14H14ClN3S/c1-10(7-11-4-6-19-9-11)18-13(8-15)17-12-3-2-5-16-14(12)18/h2-6,9-10H,7-8H2,1H3
InChIKeyANEZXCQIYGNBBE-UHFFFAOYSA-N
XLogP4.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 79294299
2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 62377554
2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carbonitrile
CID 104715554
2-(chloromethyl)-4-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 61477649
2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine
CID 79294803
2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294950
2-(2-chloroethyl)-5-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 61477574
6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79278809
2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79294516
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine
CID 81073284

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine (CID 79294519) is 2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine is CC(Cc1ccsc1)n1c(CCl)nc2cccnc21.
What is the InChIKey of 2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is ANEZXCQIYGNBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c1-10(7-11-4-6-19-9-11)18-13(8-15)17-12-3-2-5-16-14(12)18/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 291.81 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).