2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid

C24H21F3N8O2 — CID 18950373

IUPAC2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESCCCCc1nc(C(F)(F)F)c(C(=O)O)n1Cc1cccc2c1ncn2-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H21F3N8O2/c1-2-3-11-18-29-21(24(25,26)27)20(23(36)37)34(18)12-14-7-6-10-17-19(14)28-13-35(17)16-9-5-4-8-15(16)22-30-32-33-31-22/h4-10,13H,2-3,11-12H2,1H3,(H,36,37)(H,30,31,32,33)
InChIKeyBTDNYZFNSWGZJP-UHFFFAOYSA-N
MW510.48 g/mol
LogP4.51
Rot. Bonds8

About 2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid

2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid (PubChem CID 18950373) has the molecular formula C24H21F3N8O2 and a molecular weight of 510.48 g/mol. Its IUPAC name is 2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid
PubChem CID18950373
Molecular FormulaC24H21F3N8O2
Molecular Weight510.48 g/mol
Exact Mass510.17
IUPAC Name2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESCCCCc1nc(C(F)(F)F)c(C(=O)O)n1Cc1cccc2c1ncn2-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H21F3N8O2/c1-2-3-11-18-29-21(24(25,26)27)20(23(36)37)34(18)12-14-7-6-10-17-19(14)28-13-35(17)16-9-5-4-8-15(16)22-30-32-33-31-22/h4-10,13H,2-3,11-12H2,1H3,(H,36,37)(H,30,31,32,33)
InChIKeyBTDNYZFNSWGZJP-UHFFFAOYSA-N
XLogP4.51
TPSA127.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
ethyl 2-butyl-5-chloro-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate
CID 11577472
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745
[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-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazole-4-carboxylic acid
CID 19925908
2-butyl-5-methylsulfanyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxylic acid
CID 67710440
2-butyl-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-7-carboxylic acid
CID 24886966
5-(2-hydroxypropan-2-yl)-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazole-4-carboxylic acid
CID 90465956
5-[2-[4-[(2-butyl-4-chloro-5-methylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;2-butyl-5-chloro-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 91159630
2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15355268
5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 171379250

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The IUPAC name of 2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid (CID 18950373) is 2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid is CCCCc1nc(C(F)(F)F)c(C(=O)O)n1Cc1cccc2c1ncn2-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The InChIKey is BTDNYZFNSWGZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N8O2/c1-2-3-11-18-29-21(24(25,26)27)20(23(36)37)34(18)12-14-7-6-10-17-19(14)28-13-35(17)16-9-5-4-8-15(16)22-30-32-33-31-22/h4-10,13H,2-3,11-12H2,1H3,(H,36,37)(H,30,31,32,33).
What are the key properties of 2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid?
2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid has a molecular weight of 510.48 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[[1-[2-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 18950373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).