5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline

C18H18BrN5 — CID 166243424

IUPAC5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESBrc1cccc(Cc2nnn(Cc3cccc4c3CCNC4)n2)c1
InChIInChI=1S/C18H18BrN5/c19-16-6-1-3-13(9-16)10-18-21-23-24(22-18)12-15-5-2-4-14-11-20-8-7-17(14)15/h1-6,9,20H,7-8,10-12H2
InChIKeyBAZFSAHVRUIGCV-UHFFFAOYSA-N
MW384.28 g/mol
LogP2.72
Rot. Bonds4

About 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline

5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 166243424) has the molecular formula C18H18BrN5 and a molecular weight of 384.28 g/mol. Its IUPAC name is 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID166243424
Molecular FormulaC18H18BrN5
Molecular Weight384.28 g/mol
Exact Mass383.07
IUPAC Name5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESBrc1cccc(Cc2nnn(Cc3cccc4c3CCNC4)n2)c1
InChIInChI=1S/C18H18BrN5/c19-16-6-1-3-13(9-16)10-18-21-23-24(22-18)12-15-5-2-4-14-11-20-8-7-17(14)15/h1-6,9,20H,7-8,10-12H2
InChIKeyBAZFSAHVRUIGCV-UHFFFAOYSA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084
3-[(3-bromophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483539
5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 154840828
trans-(1R,2R)-2-[5-[(3-bromophenyl)methyl]tetrazol-2-yl]cyclohexan-1-ol
CID 99838031
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557579
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557395
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557490
5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 3739683
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline (CID 166243424) is 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline is Brc1cccc(Cc2nnn(Cc3cccc4c3CCNC4)n2)c1.
What is the InChIKey of 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BAZFSAHVRUIGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5/c19-16-6-1-3-13(9-16)10-18-21-23-24(22-18)12-15-5-2-4-14-11-20-8-7-17(14)15/h1-6,9,20H,7-8,10-12H2.
What are the key properties of 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline?
5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 384.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 166243424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).