1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one

C30H28N6O2 — CID 19740099

IUPAC1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
SMILESO=C(c1ccccc1)n1cc(C2CCCCC2)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1=O
InChIInChI=1S/C30H28N6O2/c37-29(24-11-5-2-6-12-24)36-20-27(23-9-3-1-4-10-23)35(30(36)38)19-21-15-17-22(18-16-21)25-13-7-8-14-26(25)28-31-33-34-32-28/h2,5-8,11-18,20,23H,1,3-4,9-10,19H2,(H,31,32,33,34)
InChIKeyLCUFBXSSBZIDLN-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.28
Rot. Bonds6

About 1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one

1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one (PubChem CID 19740099) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
PubChem CID19740099
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC Name1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
SMILESO=C(c1ccccc1)n1cc(C2CCCCC2)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1=O
InChIInChI=1S/C30H28N6O2/c37-29(24-11-5-2-6-12-24)36-20-27(23-9-3-1-4-10-23)35(30(36)38)19-21-15-17-22(18-16-21)25-13-7-8-14-26(25)28-31-33-34-32-28/h2,5-8,11-18,20,23H,1,3-4,9-10,19H2,(H,31,32,33,34)
InChIKeyLCUFBXSSBZIDLN-UHFFFAOYSA-N
XLogP5.28
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one (CID 19740099) is 1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one is O=C(c1ccccc1)n1cc(C2CCCCC2)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1=O.
What is the InChIKey of 1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?
The InChIKey is LCUFBXSSBZIDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2/c37-29(24-11-5-2-6-12-24)36-20-27(23-9-3-1-4-10-23)35(30(36)38)19-21-15-17-22(18-16-21)25-13-7-8-14-26(25)28-31-33-34-32-28/h2,5-8,11-18,20,23H,1,3-4,9-10,19H2,(H,31,32,33,34).
What are the key properties of 1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?
1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one has a molecular weight of 504.59 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 19740099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).