potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride

C22H24ClKN6O — CID 173289798

IUPACpotassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
SMILESCCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.[H-].[K+]
InChIInChI=1S/C22H23ClN6O.K.H/c1-2-3-9-20-24-21(23)19(14-30)29(20)13-15-10-11-17(16-7-5-4-6-8-16)18(12-15)22-25-27-28-26-22;;/h4-8,10-12,30H,2-3,9,13-14H2,1H3,(H,25,26,27,28);;/q;+1;-1
InChIKeyZDHRORSDYJCALO-UHFFFAOYSA-N
MW463.03 g/mol
LogP1.38
Rot. Bonds8

About potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride

potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride (PubChem CID 173289798) has the molecular formula C22H24ClKN6O and a molecular weight of 463.03 g/mol. Its IUPAC name is potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride.

Molecular Properties

Compound Namepotassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
PubChem CID173289798
Molecular FormulaC22H24ClKN6O
Molecular Weight463.03 g/mol
Exact Mass462.13
IUPAC Namepotassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
SMILESCCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.[H-].[K+]
InChIInChI=1S/C22H23ClN6O.K.H/c1-2-3-9-20-24-21(23)19(14-30)29(20)13-15-10-11-17(16-7-5-4-6-8-16)18(12-15)22-25-27-28-26-22;;/h4-8,10-12,30H,2-3,9,13-14H2,1H3,(H,25,26,27,28);;/q;+1;-1
InChIKeyZDHRORSDYJCALO-UHFFFAOYSA-N
XLogP1.38
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.03
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
[2-butyl-5-chloro-3-[[6-(2H-tetrazol-5-yl)naphthalen-2-yl]methyl]imidazol-4-yl]methanol
CID 15699054
[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazol-4-yl]methanol
CID 45039667
5-[2-[4-[(2,5-dibutyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;ethane
CID 145006110
2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde;[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 167599021
[5-butyl-4-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]methanol
CID 70684421
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 67940252
methyl 2-[[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methoxymethyl]thiophene-3-carboxylate
CID 67817026

Frequently Asked Questions

What is the IUPAC name of potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride?
The IUPAC name of potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride (CID 173289798) is potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride.
What is the SMILES notation for potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride?
The canonical SMILES for potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride is CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.[H-].[K+].
What is the InChIKey of potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride?
The InChIKey is ZDHRORSDYJCALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O.K.H/c1-2-3-9-20-24-21(23)19(14-30)29(20)13-15-10-11-17(16-7-5-4-6-8-16)18(12-15)22-25-27-28-26-22;;/h4-8,10-12,30H,2-3,9,13-14H2,1H3,(H,25,26,27,28);;/q;+1;-1.
What are the key properties of potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride?
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride has a molecular weight of 463.03 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride is sourced from PubChem (CID 173289798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).