3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole

C17H14BrN5 — CID 5050701

IUPAC3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]cc(-c3nnnn3-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C17H14BrN5/c1-10-7-11(2)16-14(8-10)15(9-19-16)17-20-21-22-23(17)13-5-3-12(18)4-6-13/h3-9,19H,1-2H3
InChIKeyBMVDLCKKAKPHGX-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.19
Rot. Bonds2

About 3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole

3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole (PubChem CID 5050701) has the molecular formula C17H14BrN5 and a molecular weight of 368.24 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole
PubChem CID5050701
Molecular FormulaC17H14BrN5
Molecular Weight368.24 g/mol
Exact Mass367.04
IUPAC Name3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]cc(-c3nnnn3-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C17H14BrN5/c1-10-7-11(2)16-14(8-10)15(9-19-16)17-20-21-22-23(17)13-5-3-12(18)4-6-13/h3-9,19H,1-2H3
InChIKeyBMVDLCKKAKPHGX-UHFFFAOYSA-N
XLogP4.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole?
The IUPAC name of 3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole (CID 5050701) is 3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole.
What is the SMILES notation for 3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole?
The canonical SMILES for 3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole is Cc1cc(C)c2[nH]cc(-c3nnnn3-c3ccc(Br)cc3)c2c1.
What is the InChIKey of 3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole?
The InChIKey is BMVDLCKKAKPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5/c1-10-7-11(2)16-14(8-10)15(9-19-16)17-20-21-22-23(17)13-5-3-12(18)4-6-13/h3-9,19H,1-2H3.
What are the key properties of 3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole?
3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole has a molecular weight of 368.24 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)tetrazol-5-yl]-5,7-dimethyl-1H-indole is sourced from PubChem (CID 5050701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).