2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

C16H21Cl2N3O — CID 154899949

IUPAC2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCl.Cl.c1cc(-c2nc3c([nH]2)CNCC3)ccc1OCC1CC1
InChIInChI=1S/C16H19N3O.2ClH/c1-2-11(1)10-20-13-5-3-12(4-6-13)16-18-14-7-8-17-9-15(14)19-16;;/h3-6,11,17H,1-2,7-10H2,(H,18,19);2*1H
InChIKeyHJJWEBDFTQXLCR-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.35
Rot. Bonds4

About 2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (PubChem CID 154899949) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
PubChem CID154899949
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCl.Cl.c1cc(-c2nc3c([nH]2)CNCC3)ccc1OCC1CC1
InChIInChI=1S/C16H19N3O.2ClH/c1-2-11(1)10-20-13-5-3-12(4-6-13)16-18-14-7-8-17-9-15(14)19-16;;/h3-6,11,17H,1-2,7-10H2,(H,18,19);2*1H
InChIKeyHJJWEBDFTQXLCR-UHFFFAOYSA-N
XLogP3.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (CID 154899949) is 2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is Cl.Cl.c1cc(-c2nc3c([nH]2)CNCC3)ccc1OCC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The InChIKey is HJJWEBDFTQXLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-2-11(1)10-20-13-5-3-12(4-6-13)16-18-14-7-8-17-9-15(14)19-16;;/h3-6,11,17H,1-2,7-10H2,(H,18,19);2*1H.
What are the key properties of 2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 154899949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).