5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole

C12H14Br2N4 — CID 107058165

IUPAC5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole
SMILESCn1nnc(CC(CBr)Cc2ccccc2Br)n1
InChIInChI=1S/C12H14Br2N4/c1-18-16-12(15-17-18)7-9(8-13)6-10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3
InChIKeyRQZVYCPRBJITJP-UHFFFAOYSA-N
MW374.08 g/mol
LogP2.77
Rot. Bonds5

About 5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole

5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole (PubChem CID 107058165) has the molecular formula C12H14Br2N4 and a molecular weight of 374.08 g/mol. Its IUPAC name is 5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole
PubChem CID107058165
Molecular FormulaC12H14Br2N4
Molecular Weight374.08 g/mol
Exact Mass371.96
IUPAC Name5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole
SMILESCn1nnc(CC(CBr)Cc2ccccc2Br)n1
InChIInChI=1S/C12H14Br2N4/c1-18-16-12(15-17-18)7-9(8-13)6-10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3
InChIKeyRQZVYCPRBJITJP-UHFFFAOYSA-N
XLogP2.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2-methyltetrazole
CID 107058150
1-bromo-2-[2-(bromomethyl)-3-methoxypropyl]benzene
CID 103985183
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053035
1-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-fluorobenzene
CID 66041556
5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66040753
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065856
1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047726
1-(3-bromo-2-pyridinyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050879
1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol
CID 107046002
4-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-1-fluorobenzene
CID 66040750
5-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-2-methyltetrazole
CID 107058012

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole?
The IUPAC name of 5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole (CID 107058165) is 5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole.
What is the SMILES notation for 5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole?
The canonical SMILES for 5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole is Cn1nnc(CC(CBr)Cc2ccccc2Br)n1.
What is the InChIKey of 5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole?
The InChIKey is RQZVYCPRBJITJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N4/c1-18-16-12(15-17-18)7-9(8-13)6-10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3.
What are the key properties of 5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole?
5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole has a molecular weight of 374.08 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-2-methyltetrazole is sourced from PubChem (CID 107058165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).