4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole

C11H10BrN5 — CID 107054442

IUPAC4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole
SMILESCn1nnc(Cn2ccc3c(Br)cccc32)n1
InChIInChI=1S/C11H10BrN5/c1-16-14-11(13-15-16)7-17-6-5-8-9(12)3-2-4-10(8)17/h2-6H,7H2,1H3
InChIKeyOZJHKZRKYJTDFH-UHFFFAOYSA-N
MW292.14 g/mol
LogP1.98
Rot. Bonds2

About 4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole

4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole (PubChem CID 107054442) has the molecular formula C11H10BrN5 and a molecular weight of 292.14 g/mol. Its IUPAC name is 4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole.

Molecular Properties

Compound Name4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole
PubChem CID107054442
Molecular FormulaC11H10BrN5
Molecular Weight292.14 g/mol
Exact Mass291.01
IUPAC Name4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole
SMILESCn1nnc(Cn2ccc3c(Br)cccc32)n1
InChIInChI=1S/C11H10BrN5/c1-16-14-11(13-15-16)7-17-6-5-8-9(12)3-2-4-10(8)17/h2-6H,7H2,1H3
InChIKeyOZJHKZRKYJTDFH-UHFFFAOYSA-N
XLogP1.98
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile
CID 107919149
4-bromo-1-[(3-methylimidazol-4-yl)methyl]indole
CID 116626077
[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
CID 107045487
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
CID 107053802
2-(4-bromoindol-1-yl)ethanol
CID 66827454
4-bromo-1-(2-methylsulfanylethyl)indole
CID 116626132
4-bromo-1-(2-pyridin-4-ylethyl)indole
CID 116625918
4-bromo-1-[(3-chlorophenyl)methyl]indole
CID 116626137
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid
CID 107043934
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
3-(4-bromoindol-1-yl)propan-1-ol
CID 66827430
4-bromo-1-(3-phenylpropyl)indole
CID 116625927

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole?
The IUPAC name of 4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole (CID 107054442) is 4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole.
What is the SMILES notation for 4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole?
The canonical SMILES for 4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole is Cn1nnc(Cn2ccc3c(Br)cccc32)n1.
What is the InChIKey of 4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole?
The InChIKey is OZJHKZRKYJTDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5/c1-16-14-11(13-15-16)7-17-6-5-8-9(12)3-2-4-10(8)17/h2-6H,7H2,1H3.
What are the key properties of 4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole?
4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole has a molecular weight of 292.14 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole is sourced from PubChem (CID 107054442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).