5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride

C14H20Cl3N3 — CID 73346595

IUPAC5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCC1c2cccc(Cl)c2CCN1CC1=NCCN1.Cl.Cl
InChIInChI=1S/C14H18ClN3.2ClH/c1-10-11-3-2-4-13(15)12(11)5-8-18(10)9-14-16-6-7-17-14;;/h2-4,10H,5-9H2,1H3,(H,16,17);2*1H
InChIKeyNQJCSOQANATJTO-UHFFFAOYSA-N
MW336.69 g/mol
LogP3.10
Rot. Bonds2

About 5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride

5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride (PubChem CID 73346595) has the molecular formula C14H20Cl3N3 and a molecular weight of 336.69 g/mol. Its IUPAC name is 5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride.

Molecular Properties

Compound Name5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
PubChem CID73346595
Molecular FormulaC14H20Cl3N3
Molecular Weight336.69 g/mol
Exact Mass335.07
IUPAC Name5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCC1c2cccc(Cl)c2CCN1CC1=NCCN1.Cl.Cl
InChIInChI=1S/C14H18ClN3.2ClH/c1-10-11-3-2-4-13(15)12(11)5-8-18(10)9-14-16-6-7-17-14;;/h2-4,10H,5-9H2,1H3,(H,16,17);2*1H
InChIKeyNQJCSOQANATJTO-UHFFFAOYSA-N
XLogP3.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.69
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The IUPAC name of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride (CID 73346595) is 5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride.
What is the SMILES notation for 5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The canonical SMILES for 5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride is CC1c2cccc(Cl)c2CCN1CC1=NCCN1.Cl.Cl.
What is the InChIKey of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The InChIKey is NQJCSOQANATJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3.2ClH/c1-10-11-3-2-4-13(15)12(11)5-8-18(10)9-14-16-6-7-17-14;;/h2-4,10H,5-9H2,1H3,(H,16,17);2*1H.
What are the key properties of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride?
5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride has a molecular weight of 336.69 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride is sourced from PubChem (CID 73346595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).