1-benzyl-4-(2H-tetrazol-5-yl)indole

C16H13N5 — CID 54055882

IUPAC1-benzyl-4-(2H-tetrazol-5-yl)indole
SMILESc1ccc(Cn2ccc3c(-c4nn[nH]n4)cccc32)cc1
InChIInChI=1S/C16H13N5/c1-2-5-12(6-3-1)11-21-10-9-13-14(7-4-8-15(13)21)16-17-19-20-18-16/h1-10H,11H2,(H,17,18,19,20)
InChIKeyLWFFSGPEEDMICT-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.87
Rot. Bonds3

About 1-benzyl-4-(2H-tetrazol-5-yl)indole

1-benzyl-4-(2H-tetrazol-5-yl)indole (PubChem CID 54055882) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-benzyl-4-(2H-tetrazol-5-yl)indole.

Molecular Properties

Compound Name1-benzyl-4-(2H-tetrazol-5-yl)indole
PubChem CID54055882
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name1-benzyl-4-(2H-tetrazol-5-yl)indole
SMILESc1ccc(Cn2ccc3c(-c4nn[nH]n4)cccc32)cc1
InChIInChI=1S/C16H13N5/c1-2-5-12(6-3-1)11-21-10-9-13-14(7-4-8-15(13)21)16-17-19-20-18-16/h1-10H,11H2,(H,17,18,19,20)
InChIKeyLWFFSGPEEDMICT-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole
CID 54073060
1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one
CID 155663250
3-[[5-(2H-tetrazol-5-yl)indol-1-yl]methyl]benzoic acid
CID 59122828
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one
CID 54726671
1-[[3-(4-methylphenyl)phenyl]methyl]-5-(2H-tetrazol-5-yl)indole;1-[[4-(4-methylphenyl)phenyl]methyl]-5-(2H-tetrazol-5-yl)indole;1-[(3-phenylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole;4-[3-[[5-(2H-tetrazol-5-yl)indol-1-yl]methyl]phenyl]benzoic acid;4-[4-[[5-(2H-tetrazol-5-yl)indol-1-yl]methyl]phenyl]benzoic acid
CID 159781208
5-(1-phenylpyrazol-3-yl)-2H-tetrazole
CID 155806906
1-benzylindole-4-carbohydrazide
CID 154701001
[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 68636440
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 139664861
12-(1-benzylindol-3-yl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 171855148

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2H-tetrazol-5-yl)indole?
The IUPAC name of 1-benzyl-4-(2H-tetrazol-5-yl)indole (CID 54055882) is 1-benzyl-4-(2H-tetrazol-5-yl)indole.
What is the SMILES notation for 1-benzyl-4-(2H-tetrazol-5-yl)indole?
The canonical SMILES for 1-benzyl-4-(2H-tetrazol-5-yl)indole is c1ccc(Cn2ccc3c(-c4nn[nH]n4)cccc32)cc1.
What is the InChIKey of 1-benzyl-4-(2H-tetrazol-5-yl)indole?
The InChIKey is LWFFSGPEEDMICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-2-5-12(6-3-1)11-21-10-9-13-14(7-4-8-15(13)21)16-17-19-20-18-16/h1-10H,11H2,(H,17,18,19,20).
What are the key properties of 1-benzyl-4-(2H-tetrazol-5-yl)indole?
1-benzyl-4-(2H-tetrazol-5-yl)indole has a molecular weight of 275.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2H-tetrazol-5-yl)indole is sourced from PubChem (CID 54055882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).