1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H27N3O2 — CID 104766228

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOC1(Cn2c(CC(C)C)nc3c2CCNC3)CCOC1
InChIInChI=1S/C16H27N3O2/c1-12(2)8-15-18-13-9-17-6-4-14(13)19(15)10-16(20-3)5-7-21-11-16/h12,17H,4-11H2,1-3H3
InChIKeyOFWMXTBXJXUHCO-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.53
Rot. Bonds5

About 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 104766228) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID104766228
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOC1(Cn2c(CC(C)C)nc3c2CCNC3)CCOC1
InChIInChI=1S/C16H27N3O2/c1-12(2)8-15-18-13-9-17-6-4-14(13)19(15)10-16(20-3)5-7-21-11-16/h12,17H,4-11H2,1-3H3
InChIKeyOFWMXTBXJXUHCO-UHFFFAOYSA-N
XLogP1.53
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Related Compounds

1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856765
N,N-dimethyl-2-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine
CID 64857881
1-(4-methylpentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857950
2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859138
N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine
CID 106052981
1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857793
1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857959
1-(2-methylcyclopropyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857931
1-(2-methoxycyclopentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857536
3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide
CID 64859342
1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859159
2-(2-methylpropyl)-1-(1-pyrrolidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858954

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 104766228) is 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is COC1(Cn2c(CC(C)C)nc3c2CCNC3)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is OFWMXTBXJXUHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)8-15-18-13-9-17-6-4-14(13)19(15)10-16(20-3)5-7-21-11-16/h12,17H,4-11H2,1-3H3.
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 293.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 104766228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).