2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

C20H19Cl2N3 — CID 18914329

IUPAC2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc(CN2CCc3ccccc3C2Cn2ccnc2)c(Cl)c1
InChIInChI=1S/C20H19Cl2N3/c21-17-6-5-16(19(22)11-17)12-25-9-7-15-3-1-2-4-18(15)20(25)13-24-10-8-23-14-24/h1-6,8,10-11,14,20H,7,9,12-13H2
InChIKeyHBJAOCSVOWFVGR-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.99
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 18914329) has the molecular formula C20H19Cl2N3 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID18914329
Molecular FormulaC20H19Cl2N3
Molecular Weight372.30 g/mol
Exact Mass371.10
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc(CN2CCc3ccccc3C2Cn2ccnc2)c(Cl)c1
InChIInChI=1S/C20H19Cl2N3/c21-17-6-5-16(19(22)11-17)12-25-9-7-15-3-1-2-4-18(15)20(25)13-24-10-8-23-14-24/h1-6,8,10-11,14,20H,7,9,12-13H2
InChIKeyHBJAOCSVOWFVGR-UHFFFAOYSA-N
XLogP4.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 63948415
2-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 18914346
[2-[(3-chloro-4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 103038322
[2-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 102856242
1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole
CID 21481677
1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole
CID 19843308
1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole
CID 54123992
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
4-[(2,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-1H-1,2,4-triazol-5-one
CID 50952916
(3S)-2-benzyl-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 67667874
[2-(4-imidazol-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545229
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 20519440

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline (CID 18914329) is 2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline is Clc1ccc(CN2CCc3ccccc3C2Cn2ccnc2)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is HBJAOCSVOWFVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3/c21-17-6-5-16(19(22)11-17)12-25-9-7-15-3-1-2-4-18(15)20(25)13-24-10-8-23-14-24/h1-6,8,10-11,14,20H,7,9,12-13H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 372.30 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 18914329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).