1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C12H13ClN2S — CID 117248156

IUPAC1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESClc1nc(Cc2cccs2)n2c1CCCC2
InChIInChI=1S/C12H13ClN2S/c13-12-10-5-1-2-6-15(10)11(14-12)8-9-4-3-7-16-9/h3-4,7H,1-2,5-6,8H2
InChIKeyZXLZCRMXKAFJSU-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.53
Rot. Bonds2

About 1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117248156) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117248156
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESClc1nc(Cc2cccs2)n2c1CCCC2
InChIInChI=1S/C12H13ClN2S/c13-12-10-5-1-2-6-15(10)11(14-12)8-9-4-3-7-16-9/h3-4,7H,1-2,5-6,8H2
InChIKeyZXLZCRMXKAFJSU-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-6-methyl-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248844
1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117252076
3-(pyrrolidin-1-ylmethyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 131889257
3-(thiophen-2-ylmethyl)cyclohex-2-en-1-amine
CID 65171855
5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
CID 117259295
2-[(3-chlorocyclohepten-1-yl)methyl]thiophene
CID 107383817
1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242893
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole
CID 43661018
4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 94674649
5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117142407
4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine
CID 121205893

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117248156) is 1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is Clc1nc(Cc2cccs2)n2c1CCCC2.
What is the InChIKey of 1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is ZXLZCRMXKAFJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-12-10-5-1-2-6-15(10)11(14-12)8-9-4-3-7-16-9/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 252.77 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117248156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).