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

C114H89N25O4 — CID 159781208

IUPAC1-[[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
SMILESCc1ccc(-c2ccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)cc2)cc1.Cc1ccc(-c2cccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)c2)cc1.O=C(O)c1ccc(-c2ccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)cc2)cc1.O=C(O)c1ccc(-c2cccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)c2)cc1.c1ccc(-c2cccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)c2)cc1
InChIInChI=1S/2C23H17N5O2.2C23H19N5.C22H17N5/c29-23(30)18-7-5-17(6-8-18)16-3-1-15(2-4-16)14-28-12-11-19-13-20(9-10-21(19)28)22-24-26-27-25-22;29-23(30)17-6-4-16(5-7-17)18-3-1-2-15(12-18)14-28-11-10-19-13-20(8-9-21(19)28)22-24-26-27-25-22;1-16-2-6-18(7-3-16)19-8-4-17(5-9-19)15-28-13-12-20-14-21(10-11-22(20)28)23-24-26-27-25-23;1-16-5-7-18(8-6-16)19-4-2-3-17(13-19)15-28-12-11-20-14-21(9-10-22(20)28)23-24-26-27-25-23;1-2-6-17(7-3-1)18-8-4-5-16(13-18)15-27-12-11-19-14-20(9-10-21(19)27)22-23-25-26-24-22/h2*1-13H,14H2,(H,29,30)(H,24,25,26,27);2*2-14H,15H2,1H3,(H,24,25,26,27);1-14H,15H2,(H,23,24,25,26)
InChIKeyNHJOIBXGYDTNRF-UHFFFAOYSA-N
MW1873.14 g/mol
LogP22.70
Rot. Bonds22

About 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

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 (PubChem CID 159781208) has the molecular formula C114H89N25O4 and a molecular weight of 1873.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[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
PubChem CID159781208
Molecular FormulaC114H89N25O4
Molecular Weight1873.14 g/mol
Exact Mass1871.75
IUPAC Name1-[[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
SMILESCc1ccc(-c2ccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)cc2)cc1.Cc1ccc(-c2cccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)c2)cc1.O=C(O)c1ccc(-c2ccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)cc2)cc1.O=C(O)c1ccc(-c2cccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)c2)cc1.c1ccc(-c2cccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)c2)cc1
InChIInChI=1S/2C23H17N5O2.2C23H19N5.C22H17N5/c29-23(30)18-7-5-17(6-8-18)16-3-1-15(2-4-16)14-28-12-11-19-13-20(9-10-21(19)28)22-24-26-27-25-22;29-23(30)17-6-4-16(5-7-17)18-3-1-2-15(12-18)14-28-11-10-19-13-20(8-9-21(19)28)22-24-26-27-25-22;1-16-2-6-18(7-3-16)19-8-4-17(5-9-19)15-28-13-12-20-14-21(10-11-22(20)28)23-24-26-27-25-23;1-16-5-7-18(8-6-16)19-4-2-3-17(13-19)15-28-12-11-20-14-21(9-10-22(20)28)23-24-26-27-25-23;1-2-6-17(7-3-1)18-8-4-5-16(13-18)15-27-12-11-19-14-20(9-10-21(19)27)22-23-25-26-24-22/h2*1-13H,14H2,(H,29,30)(H,24,25,26,27);2*2-14H,15H2,1H3,(H,24,25,26,27);1-14H,15H2,(H,23,24,25,26)
InChIKeyNHJOIBXGYDTNRF-UHFFFAOYSA-N
XLogP22.70
TPSA371.55 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001873.14
LogP ≤ 522.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(2H-tetrazol-5-yl)indol-1-yl]methyl]benzoic acid
CID 59122828
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
3-[[6-[1-[(4-phenylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682150
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
4-[(5-bromoindol-1-yl)methyl]benzoic acid
CID 4576218
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]isoindole-1,3-dione
CID 137333040
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
CID 91473451
1-[(4-iodophenyl)methyl]indole-5-carboxylic acid
CID 65477829
2-(1-benzylindol-5-yl)acetic acid
CID 71441824

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)cc2)cc1.Cc1ccc(-c2cccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)c2)cc1.O=C(O)c1ccc(-c2ccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)cc2)cc1.O=C(O)c1ccc(-c2cccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)c2)cc1.c1ccc(-c2cccc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is NHJOIBXGYDTNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H17N5O2.2C23H19N5.C22H17N5/c29-23(30)18-7-5-17(6-8-18)16-3-1-15(2-4-16)14-28-12-11-19-13-20(9-10-21(19)28)22-24-26-27-25-22;29-23(30)17-6-4-16(5-7-17)18-3-1-2-15(12-18)14-28-11-10-19-13-20(8-9-21(19)28)22-24-26-27-25-22;1-16-2-6-18(7-3-16)19-8-4-17(5-9-19)15-28-13-12-20-14-21(10-11-22(20)28)23-24-26-27-25-23;1-16-5-7-18(8-6-16)19-4-2-3-17(13-19)15-28-12-11-20-14-21(9-10-22(20)28)23-24-26-27-25-23;1-2-6-17(7-3-1)18-8-4-5-16(13-18)15-27-12-11-19-14-20(9-10-21(19)27)22-23-25-26-24-22/h2*1-13H,14H2,(H,29,30)(H,24,25,26,27);2*2-14H,15H2,1H3,(H,24,25,26,27);1-14H,15H2,(H,23,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 1873.14 g/mol, XLogP of 22.70, 22 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159781208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).