ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride

C10H17Cl2N3O2 — CID 71742131

IUPACethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride
SMILESCCOC(=O)Cc1nc2c([nH]1)CNCC2.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-2-15-10(14)5-9-12-7-3-4-11-6-8(7)13-9;;/h11H,2-6H2,1H3,(H,12,13);2*1H
InChIKeyUBVNDUMMGOXEOW-UHFFFAOYSA-N
MW282.17 g/mol
LogP1.00
Rot. Bonds3

About ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride

ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride (PubChem CID 71742131) has the molecular formula C10H17Cl2N3O2 and a molecular weight of 282.17 g/mol. Its IUPAC name is ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride
PubChem CID71742131
Molecular FormulaC10H17Cl2N3O2
Molecular Weight282.17 g/mol
Exact Mass281.07
IUPAC Nameethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride
SMILESCCOC(=O)Cc1nc2c([nH]1)CNCC2.Cl.Cl
InChIInChI=1S/C10H15N3O2.2ClH/c1-2-15-10(14)5-9-12-7-3-4-11-6-8(7)13-9;;/h11H,2-6H2,1H3,(H,12,13);2*1H
InChIKeyUBVNDUMMGOXEOW-UHFFFAOYSA-N
XLogP1.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-carboxylate dihydrochloride
CID 18537975
2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CID 45789992
ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate
CID 71742132
methyl 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-2-carboxylate dihydrochloride
CID 137964366
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylic acid;hydrochloride
CID 178317019
ethyl 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-2-carboxylate
CID 18537976
methyl 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-2-carboxylate
CID 129916925
Ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate
CID 11953521
Ethyl 2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)propionate dihydrochloride
CID 18537759
ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate
CID 18537760
3-(2-Ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-iminopropanoic acid
CID 57034861
2-(2-Ethoxy-2-oxoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid
CID 57151914

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride?
The IUPAC name of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride (CID 71742131) is ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride.
What is the SMILES notation for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride?
The canonical SMILES for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride is CCOC(=O)Cc1nc2c([nH]1)CNCC2.Cl.Cl.
What is the InChIKey of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride?
The InChIKey is UBVNDUMMGOXEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.2ClH/c1-2-15-10(14)5-9-12-7-3-4-11-6-8(7)13-9;;/h11H,2-6H2,1H3,(H,12,13);2*1H.
What are the key properties of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride?
ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate;dihydrochloride is sourced from PubChem (CID 71742131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).