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

C28H34N6O — CID 53321879

IUPAC(5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
SMILESCCCCC1=N[C@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H34N6O/c1-3-4-14-25-29-28(2,22-10-6-5-7-11-22)27(35)34(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)26-30-32-33-31-26/h8-9,12-13,15-18,22H,3-7,10-11,14,19H2,1-2H3,(H,30,31,32,33)/t28-/m1/s1
InChIKeyVUZVDXABWUOABD-MUUNZHRXSA-N
MW470.62 g/mol
LogP5.80
Rot. Bonds8

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

(5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one (PubChem CID 53321879) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is (5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
PubChem CID53321879
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name(5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
SMILESCCCCC1=N[C@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H34N6O/c1-3-4-14-25-29-28(2,22-10-6-5-7-11-22)27(35)34(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)26-30-32-33-31-26/h8-9,12-13,15-18,22H,3-7,10-11,14,19H2,1-2H3,(H,30,31,32,33)/t28-/m1/s1
InChIKeyVUZVDXABWUOABD-MUUNZHRXSA-N
XLogP5.80
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one (CID 53321879) is (5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one is CCCCC1=N[C@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of (5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one?
The InChIKey is VUZVDXABWUOABD-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H34N6O/c1-3-4-14-25-29-28(2,22-10-6-5-7-11-22)27(35)34(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)26-30-32-33-31-26/h8-9,12-13,15-18,22H,3-7,10-11,14,19H2,1-2H3,(H,30,31,32,33)/t28-/m1/s1.
What are the key properties of (5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one?
(5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one has a molecular weight of 470.62 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-butyl-5-cyclohexyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one is sourced from PubChem (CID 53321879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).