2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

C12H21Cl2N3 — CID 91647712

IUPAC2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESC1CCC(c2nc3c([nH]2)CNCC3)CC1.Cl.Cl
InChIInChI=1S/C12H19N3.2ClH/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12;;/h9,13H,1-8H2,(H,14,15);2*1H
InChIKeyZLWXWIPRTZCGGT-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.95
Rot. Bonds1

About 2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (PubChem CID 91647712) has the molecular formula C12H21Cl2N3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
PubChem CID91647712
Molecular FormulaC12H21Cl2N3
Molecular Weight278.23 g/mol
Exact Mass277.11
IUPAC Name2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESC1CCC(c2nc3c([nH]2)CNCC3)CC1.Cl.Cl
InChIInChI=1S/C12H19N3.2ClH/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12;;/h9,13H,1-8H2,(H,14,15);2*1H
InChIKeyZLWXWIPRTZCGGT-UHFFFAOYSA-N
XLogP2.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (CID 91647712) is 2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is C1CCC(c2nc3c([nH]2)CNCC3)CC1.Cl.Cl.
What is the InChIKey of 2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The InChIKey is ZLWXWIPRTZCGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.2ClH/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12;;/h9,13H,1-8H2,(H,14,15);2*1H.
What are the key properties of 2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride has a molecular weight of 278.23 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 91647712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).