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

C15H21Cl2N3O — CID 154898950

IUPAC2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCCCOc1cccc(-c2nc3c([nH]2)CNCC3)c1.Cl.Cl
InChIInChI=1S/C15H19N3O.2ClH/c1-2-8-19-12-5-3-4-11(9-12)15-17-13-6-7-16-10-14(13)18-15;;/h3-5,9,16H,2,6-8,10H2,1H3,(H,17,18);2*1H
InChIKeyHWFJUXFKUWHWCD-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.35
Rot. Bonds4

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

2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (PubChem CID 154898950) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
PubChem CID154898950
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCCCOc1cccc(-c2nc3c([nH]2)CNCC3)c1.Cl.Cl
InChIInChI=1S/C15H19N3O.2ClH/c1-2-8-19-12-5-3-4-11(9-12)15-17-13-6-7-16-10-14(13)18-15;;/h3-5,9,16H,2,6-8,10H2,1H3,(H,17,18);2*1H
InChIKeyHWFJUXFKUWHWCD-UHFFFAOYSA-N
XLogP3.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 154898940
5,6-dichloro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 82005589
2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 72839524
4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 115911975
5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72922947
2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62500115
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296662
2-(3-methoxyphenyl)-5-pyridin-4-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72866371
4,5-diamino-2-(3-hexoxyphenyl)-1H-pyrimidin-6-one
CID 152771806
[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
CID 55078974
3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 91128482

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (CID 154898950) is 2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is CCCOc1cccc(-c2nc3c([nH]2)CNCC3)c1.Cl.Cl.
What is the InChIKey of 2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The InChIKey is HWFJUXFKUWHWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.2ClH/c1-2-8-19-12-5-3-4-11(9-12)15-17-13-6-7-16-10-14(13)18-15;;/h3-5,9,16H,2,6-8,10H2,1H3,(H,17,18);2*1H.
What are the key properties of 2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride has a molecular weight of 330.26 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-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 154898950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).