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

C17H15N5 — CID 54073060

IUPAC1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole
SMILESc1ccc(Cn2ccc3c(Cc4nn[nH]n4)cccc32)cc1
InChIInChI=1S/C17H15N5/c1-2-5-13(6-3-1)12-22-10-9-15-14(7-4-8-16(15)22)11-17-18-20-21-19-17/h1-10H,11-12H2,(H,18,19,20,21)
InChIKeyMHVAHDHOGLRTOZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.79
Rot. Bonds4

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

1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole (PubChem CID 54073060) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole.

Molecular Properties

Compound Name1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole
PubChem CID54073060
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole
SMILESc1ccc(Cn2ccc3c(Cc4nn[nH]n4)cccc32)cc1
InChIInChI=1S/C17H15N5/c1-2-5-13(6-3-1)12-22-10-9-15-14(7-4-8-16(15)22)11-17-18-20-21-19-17/h1-10H,11-12H2,(H,18,19,20,21)
InChIKeyMHVAHDHOGLRTOZ-UHFFFAOYSA-N
XLogP2.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-(2H-tetrazol-5-yl)indole
CID 54055882
5-(naphthalen-1-ylmethyl)-2H-tetrazole
CID 2988287
N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
CID 176845587
N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
CID 176845405
1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one
CID 155663250
2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole
CID 175731684
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline
CID 154110060
1-benzylindole-4-carbohydrazide
CID 154701001
(2S)-2-amino-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid
CID 130476414
2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol
CID 176845459
5-[(3-tert-butylphenyl)methyl]-2H-tetrazole
CID 176700607

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole?
The IUPAC name of 1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole (CID 54073060) is 1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole.
What is the SMILES notation for 1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole?
The canonical SMILES for 1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole is c1ccc(Cn2ccc3c(Cc4nn[nH]n4)cccc32)cc1.
What is the InChIKey of 1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole?
The InChIKey is MHVAHDHOGLRTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-5-13(6-3-1)12-22-10-9-15-14(7-4-8-16(15)22)11-17-18-20-21-19-17/h1-10H,11-12H2,(H,18,19,20,21).
What are the key properties of 1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole?
1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole has a molecular weight of 289.34 g/mol, XLogP of 2.79, 4 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-ylmethyl)indole is sourced from PubChem (CID 54073060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).