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

C28H34N6O — CID 54060975

IUPAC4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
SMILESCC(C)CCn1cc(C2CCCCC2)n(Cc2ccc(-c3ccccc3-n3cnnn3)cc2)c1=O
InChIInChI=1S/C28H34N6O/c1-21(2)16-17-32-19-27(24-8-4-3-5-9-24)33(28(32)35)18-22-12-14-23(15-13-22)25-10-6-7-11-26(25)34-20-29-30-31-34/h6-7,10-15,19-21,24H,3-5,8-9,16-18H2,1-2H3
InChIKeyLZRGRVIOKANNKH-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.43
Rot. Bonds8

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

4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one (PubChem CID 54060975) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
PubChem CID54060975
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
SMILESCC(C)CCn1cc(C2CCCCC2)n(Cc2ccc(-c3ccccc3-n3cnnn3)cc2)c1=O
InChIInChI=1S/C28H34N6O/c1-21(2)16-17-32-19-27(24-8-4-3-5-9-24)33(28(32)35)18-22-12-14-23(15-13-22)25-10-6-7-11-26(25)34-20-29-30-31-34/h6-7,10-15,19-21,24H,3-5,8-9,16-18H2,1-2H3
InChIKeyLZRGRVIOKANNKH-UHFFFAOYSA-N
XLogP5.43
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-4-(2-methylpropyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54230312
4-cyclohexyl-1-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740410
4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54270799
5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54155262
3,5-dibutyl-2-oxo-1-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 54455106
1-benzoyl-4-but-3-ynyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54278127
4-hexyl-1-pentanoyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54457223
1-benzoyl-4-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740099
4-cyclohexyl-1-pentanoyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740317
3-phenyl-8-propyl-7-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54239507
1-(2-cyclohexylacetyl)-4-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741346
2-(2-cyclohexylethyl)-5-propan-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 70200359

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one (CID 54060975) is 4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one is CC(C)CCn1cc(C2CCCCC2)n(Cc2ccc(-c3ccccc3-n3cnnn3)cc2)c1=O.
What is the InChIKey of 4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
The InChIKey is LZRGRVIOKANNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c1-21(2)16-17-32-19-27(24-8-4-3-5-9-24)33(28(32)35)18-22-12-14-23(15-13-22)25-10-6-7-11-26(25)34-20-29-30-31-34/h6-7,10-15,19-21,24H,3-5,8-9,16-18H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one has a molecular weight of 470.62 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 54060975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).