1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride

C14H20Cl2N4O — CID 155868535

IUPAC1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
SMILESCl.Cl.Cn1cnc2c1C(COCc1cccnc1)CNC2
InChIInChI=1S/C14H18N4O.2ClH/c1-18-10-17-13-7-16-6-12(14(13)18)9-19-8-11-3-2-4-15-5-11;;/h2-5,10,12,16H,6-9H2,1H3;2*1H
InChIKeyYOCAHJVAGXCMQD-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.06
Rot. Bonds4

About 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride

1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride (PubChem CID 155868535) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
PubChem CID155868535
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC Name1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
SMILESCl.Cl.Cn1cnc2c1C(COCc1cccnc1)CNC2
InChIInChI=1S/C14H18N4O.2ClH/c1-18-10-17-13-7-16-6-12(14(13)18)9-19-8-11-3-2-4-15-5-11;;/h2-5,10,12,16H,6-9H2,1H3;2*1H
InChIKeyYOCAHJVAGXCMQD-UHFFFAOYSA-N
XLogP2.06
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride with MolForge

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Related Compounds

7-(ethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131660540
(7R)-7-(methoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382834
(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368457
N,N-dimethyl-2-[[1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 134070194
3-(oxiran-2-ylmethoxymethyl)pyridine
CID 23054420
1-(cyclopropylmethyl)-7-(ethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;hydrochloride
CID 155843711
2-[[(7R)-1-methyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 97383373
1-methyl-5-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 134076766
4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol
CID 10125535
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
3-(3,3-dimethylbutoxymethyl)pyridine
CID 154991745
8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 133139485

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride (CID 155868535) is 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride is Cl.Cl.Cn1cnc2c1C(COCc1cccnc1)CNC2.
What is the InChIKey of 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride?
The InChIKey is YOCAHJVAGXCMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c1-18-10-17-13-7-16-6-12(14(13)18)9-19-8-11-3-2-4-15-5-11;;/h2-5,10,12,16H,6-9H2,1H3;2*1H.
What are the key properties of 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride?
1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(pyridin-3-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 155868535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).