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

C22H29ClN6O — CID 19072545

IUPAC[2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol
SMILESCCCCc1nc(Cl)c(CO)n1Cc1ccc(C(c2nn[nH]n2)C2CCCC2)cc1
InChIInChI=1S/C22H29ClN6O/c1-2-3-8-19-24-21(23)18(14-30)29(19)13-15-9-11-17(12-10-15)20(16-6-4-5-7-16)22-25-27-28-26-22/h9-12,16,20,30H,2-8,13-14H2,1H3,(H,25,26,27,28)
InChIKeyYHBFGBAQVSCFCU-UHFFFAOYSA-N
MW428.97 g/mol
LogP4.25
Rot. Bonds9

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

[2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol (PubChem CID 19072545) has the molecular formula C22H29ClN6O and a molecular weight of 428.97 g/mol. Its IUPAC name is [2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol
PubChem CID19072545
Molecular FormulaC22H29ClN6O
Molecular Weight428.97 g/mol
Exact Mass428.21
IUPAC Name[2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol
SMILESCCCCc1nc(Cl)c(CO)n1Cc1ccc(C(c2nn[nH]n2)C2CCCC2)cc1
InChIInChI=1S/C22H29ClN6O/c1-2-3-8-19-24-21(23)18(14-30)29(19)13-15-9-11-17(12-10-15)20(16-6-4-5-7-16)22-25-27-28-26-22/h9-12,16,20,30H,2-8,13-14H2,1H3,(H,25,26,27,28)
InChIKeyYHBFGBAQVSCFCU-UHFFFAOYSA-N
XLogP4.25
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.97
LogP ≤ 54.25
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-3-[[6-(2H-tetrazol-5-yl)naphthalen-2-yl]methyl]imidazol-4-yl]methanol
CID 15699054
2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-2,2-dicyclopentylacetonitrile
CID 19072486
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798
2-butyl-3-[[4-[carboxy(cyclopentyl)methyl]phenyl]methyl]-5-chloroimidazole-4-carboxylic acid
CID 19072532
5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
CID 19815438
[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazol-4-yl]methanol
CID 45039667
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-[2-[4-[(2,5-dibutyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;ethane
CID 145006110
sodium;[2-butyl-5-chloro-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazol-4-yl]methanol;dihydrogen phosphate
CID 23700857
[5-butyl-4-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]methanol
CID 70684421
[2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol
CID 19955610

Frequently Asked Questions

What is the IUPAC name of [2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol?
The IUPAC name of [2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol (CID 19072545) is [2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol?
The canonical SMILES for [2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol is CCCCc1nc(Cl)c(CO)n1Cc1ccc(C(c2nn[nH]n2)C2CCCC2)cc1.
What is the InChIKey of [2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol?
The InChIKey is YHBFGBAQVSCFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6O/c1-2-3-8-19-24-21(23)18(14-30)29(19)13-15-9-11-17(12-10-15)20(16-6-4-5-7-16)22-25-27-28-26-22/h9-12,16,20,30H,2-8,13-14H2,1H3,(H,25,26,27,28).
What are the key properties of [2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol?
[2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol has a molecular weight of 428.97 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-5-chloro-3-[[4-[cyclopentyl(2H-tetrazol-5-yl)methyl]phenyl]methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 19072545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).