5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one

C22H23ClN6O — CID 54155262

IUPAC5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1c(Cl)n(CC)c(=O)n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1
InChIInChI=1S/C22H23ClN6O/c1-3-7-20-21(23)27(4-2)22(30)28(20)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)29-15-24-25-26-29/h5-6,8-13,15H,3-4,7,14H2,1-2H3
InChIKeyOKPGOVCZHKNIMW-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.97
Rot. Bonds7

About 5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one

5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one (PubChem CID 54155262) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is 5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
PubChem CID54155262
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC Name5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1c(Cl)n(CC)c(=O)n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1
InChIInChI=1S/C22H23ClN6O/c1-3-7-20-21(23)27(4-2)22(30)28(20)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)29-15-24-25-26-29/h5-6,8-13,15H,3-4,7,14H2,1-2H3
InChIKeyOKPGOVCZHKNIMW-UHFFFAOYSA-N
XLogP3.97
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dibutyl-2-oxo-1-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 54455106
1-ethyl-4-(2-methylpropyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54230312
4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54270799
4-hexyl-1-pentanoyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54457223
3-phenyl-8-propyl-7-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54239507
4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54060975
1-butyl-5-chloro-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384510
2-[4-[(3-butyl-4-chloro-2-oxo-5-propylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19741513
1-benzoyl-4-but-3-ynyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54278127
1-[2-[4-[[3-butyl-5-(2-phenylethyl)-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]tetrazole
CID 139834989
5-chloro-1-phenyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384915
5-(dimethoxymethyl)-1-ethyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740504

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one (CID 54155262) is 5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one is CCCc1c(Cl)n(CC)c(=O)n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1.
What is the InChIKey of 5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
The InChIKey is OKPGOVCZHKNIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O/c1-3-7-20-21(23)27(4-2)22(30)28(20)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)29-15-24-25-26-29/h5-6,8-13,15H,3-4,7,14H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one has a molecular weight of 422.92 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 54155262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).