1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H19N3O2 — CID 64859325

IUPAC1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nc2c(n1CC1COCCO1)CCNC2
InChIInChI=1S/C12H19N3O2/c1-9-14-11-6-13-3-2-12(11)15(9)7-10-8-16-4-5-17-10/h10,13H,2-8H2,1H3
InChIKeyHYGBNAKQKJUXAJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.25
Rot. Bonds2

About 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64859325) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64859325
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nc2c(n1CC1COCCO1)CCNC2
InChIInChI=1S/C12H19N3O2/c1-9-14-11-6-13-3-2-12(11)15(9)7-10-8-16-4-5-17-10/h10,13H,2-8H2,1H3
InChIKeyHYGBNAKQKJUXAJ-UHFFFAOYSA-N
XLogP0.25
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Related Compounds

1-methyl-2-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 53573537
1-[2-(2,2,2-Trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64854363
1-(Oxolan-2-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856711
2-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856772
1-(4-Methoxybutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856790
1-[2-(3-Methylbutoxy)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856806
N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine
CID 64856958
2-(2-Methylpropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856967
2-Tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856968
2-Cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856969
1-(3-Methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856994
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857163

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64859325) is 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1nc2c(n1CC1COCCO1)CCNC2.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is HYGBNAKQKJUXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-14-11-6-13-3-2-12(11)15(9)7-10-8-16-4-5-17-10/h10,13H,2-8H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 237.30 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64859325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).