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

C30H32N6O — CID 67910519

IUPAC4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
SMILESCCCCc1c(C)n(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C30H32N6O/c1-3-4-15-28-22(2)35(19-18-23-11-7-5-8-12-23)30(37)36(28)21-24-16-17-26(25-13-9-6-10-14-25)27(20-24)29-31-33-34-32-29/h5-14,16-17,20H,3-4,15,18-19,21H2,1-2H3,(H,31,32,33,34)
InChIKeyXZMPXBFSIQJQFX-UHFFFAOYSA-N
MW492.63 g/mol
LogP5.44
Rot. Bonds10

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

4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one (PubChem CID 67910519) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is 4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
PubChem CID67910519
Molecular FormulaC30H32N6O
Molecular Weight492.63 g/mol
Exact Mass492.26
IUPAC Name4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
SMILESCCCCc1c(C)n(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C30H32N6O/c1-3-4-15-28-22(2)35(19-18-23-11-7-5-8-12-23)30(37)36(28)21-24-16-17-26(25-13-9-6-10-14-25)27(20-24)29-31-33-34-32-29/h5-14,16-17,20H,3-4,15,18-19,21H2,1-2H3,(H,31,32,33,34)
InChIKeyXZMPXBFSIQJQFX-UHFFFAOYSA-N
XLogP5.44
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one with MolForge

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Related Compounds

4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
CID 67910457
5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384258
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384110
1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384577
4-butyl-1-tert-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740479
4-butyl-1-(cyclohexylmethyl)-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741583
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384878
4-butyl-5-fluoro-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741229
1-benzyl-5-methyl-4-pentyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384856
5-chloro-4-pentyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384404
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 67940252
5-(dimethoxymethyl)-1-(2-phenylethyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741532

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one (CID 67910519) is 4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one is CCCCc1c(C)n(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one?
The InChIKey is XZMPXBFSIQJQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O/c1-3-4-15-28-22(2)35(19-18-23-11-7-5-8-12-23)30(37)36(28)21-24-16-17-26(25-13-9-6-10-14-25)27(20-24)29-31-33-34-32-29/h5-14,16-17,20H,3-4,15,18-19,21H2,1-2H3,(H,31,32,33,34).
What are the key properties of 4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one?
4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one has a molecular weight of 492.63 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 67910519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).