1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole

C17H15N5 — CID 59122734

IUPAC1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
SMILESCc1ccc(Cn2ccc3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C17H15N5/c1-12-2-4-13(5-3-12)11-22-9-8-14-10-15(6-7-16(14)22)17-18-20-21-19-17/h2-10H,11H2,1H3,(H,18,19,20,21)
InChIKeyHSMRPTYTKYCIMQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.18
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole

1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole (PubChem CID 59122734) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
PubChem CID59122734
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
SMILESCc1ccc(Cn2ccc3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C17H15N5/c1-12-2-4-13(5-3-12)11-22-9-8-14-10-15(6-7-16(14)22)17-18-20-21-19-17/h2-10H,11H2,1H3,(H,18,19,20,21)
InChIKeyHSMRPTYTKYCIMQ-UHFFFAOYSA-N
XLogP3.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[[5-(2H-tetrazol-5-yl)indol-1-yl]methyl]benzoic acid
CID 59122828
3-[4-[(5-methylindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532772
1-(2,2-dimethylpropyl)-5-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]indole
CID 11950746
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457088
5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole
CID 164627550
9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457084
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine
CID 142938801
5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
CID 116623337

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole (CID 59122734) is 1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole is Cc1ccc(Cn2ccc3cc(-c4nn[nH]n4)ccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole?
The InChIKey is HSMRPTYTKYCIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-2-4-13(5-3-12)11-22-9-8-14-10-15(6-7-16(14)22)17-18-20-21-19-17/h2-10H,11H2,1H3,(H,18,19,20,21).
What are the key properties of 1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole?
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole has a molecular weight of 289.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole is sourced from PubChem (CID 59122734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).