2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

C15H19N3O2S — CID 79271892

IUPAC2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESCC1CCCC(n2c(SCC(=O)O)nc3cnccc32)C1
InChIInChI=1S/C15H19N3O2S/c1-10-3-2-4-11(7-10)18-13-5-6-16-8-12(13)17-15(18)21-9-14(19)20/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,19,20)
InChIKeyMFVKKHOGLFAHPD-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.36
Rot. Bonds4

About 2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79271892) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
PubChem CID79271892
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESCC1CCCC(n2c(SCC(=O)O)nc3cnccc32)C1
InChIInChI=1S/C15H19N3O2S/c1-10-3-2-4-11(7-10)18-13-5-6-16-8-12(13)17-15(18)21-9-14(19)20/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,19,20)
InChIKeyMFVKKHOGLFAHPD-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
CID 114548316
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79292551
2-(1-cyclohexyl-5-iodobenzimidazol-2-yl)sulfanylacetic acid
CID 66080161
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271520
2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
CID 63281220
2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 113475637
2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 103462857
2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid
CID 62532208
2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 115322054

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (CID 79271892) is 2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is CC1CCCC(n2c(SCC(=O)O)nc3cnccc32)C1.
What is the InChIKey of 2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is MFVKKHOGLFAHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-3-2-4-11(7-10)18-13-5-6-16-8-12(13)17-15(18)21-9-14(19)20/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,19,20).
What are the key properties of 2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 305.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79271892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).