ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate

C26H26ClN7O2 — CID 11577472

IUPACethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate
SMILESCCCCc1nc(Cl)c(C(=O)OCC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C26H26ClN7O2/c1-3-5-13-22-28-24(27)23(26(35)36-4-2)34(22)16-17-9-8-12-20-18(17)14-15-33(20)21-11-7-6-10-19(21)25-29-31-32-30-25/h6-12,14-15H,3-5,13,16H2,1-2H3,(H,29,30,31,32)
InChIKeyFVIZJEDZHHDQIG-UHFFFAOYSA-N
MW503.99 g/mol
LogP5.23
Rot. Bonds9

About ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate

ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate (PubChem CID 11577472) has the molecular formula C26H26ClN7O2 and a molecular weight of 503.99 g/mol. Its IUPAC name is ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate
PubChem CID11577472
Molecular FormulaC26H26ClN7O2
Molecular Weight503.99 g/mol
Exact Mass503.18
IUPAC Nameethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate
SMILESCCCCc1nc(Cl)c(C(=O)OCC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C26H26ClN7O2/c1-3-5-13-22-28-24(27)23(26(35)36-4-2)34(22)16-17-9-8-12-20-18(17)14-15-33(20)21-11-7-6-10-19(21)25-29-31-32-30-25/h6-12,14-15H,3-5,13,16H2,1-2H3,(H,29,30,31,32)
InChIKeyFVIZJEDZHHDQIG-UHFFFAOYSA-N
XLogP5.23
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.99
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate with MolForge

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Related Compounds

dilithium bis(2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]imidazole-4-carboxylate)
CID 139605907
[5-bromo-2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazol-4-yl]methylphosphonic acid
CID 19764505
2-butyl-5-chloro-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;ethyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 158986717
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid
CID 18950373
ethyl 2-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]indol-1-yl]benzoate
CID 139605892
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745
2-hexyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
CID 71558473
propan-2-yloxycarbonyloxymethyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 24748496
[2-(nitrooxymethyl)phenyl] 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 11490198
3-(3,4-dihydroxyphenyl)propyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 57402292
1-ethoxycarbonyloxyethyl 2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxylate
CID 19091497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate (CID 11577472) is ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate is CCCCc1nc(Cl)c(C(=O)OCC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate?
The InChIKey is FVIZJEDZHHDQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O2/c1-3-5-13-22-28-24(27)23(26(35)36-4-2)34(22)16-17-9-8-12-20-18(17)14-15-33(20)21-11-7-6-10-19(21)25-29-31-32-30-25/h6-12,14-15H,3-5,13,16H2,1-2H3,(H,29,30,31,32).
What are the key properties of ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate?
ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate has a molecular weight of 503.99 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate is sourced from PubChem (CID 11577472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).