2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one

C45H50N12O2 — CID 67872812

IUPAC2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
SMILESCCCC1=NC(=O)C(C)(C)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCCC1=NC(=O)C(C)(C)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H26N6O.C22H24N6O/c1-4-5-10-20-24-22(30)23(2,3)29(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21-25-27-28-26-21;1-4-7-19-23-21(29)22(2,3)28(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)20-24-26-27-25-20/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,25,26,27,28);5-6,8-13H,4,7,14H2,1-3H3,(H,24,25,26,27)
InChIKeyXPHHUJLVPRXWFQ-UHFFFAOYSA-N
MW790.98 g/mol
LogP8.10
Rot. Bonds13

About 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one

2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one (PubChem CID 67872812) has the molecular formula C45H50N12O2 and a molecular weight of 790.98 g/mol. Its IUPAC name is 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
PubChem CID67872812
Molecular FormulaC45H50N12O2
Molecular Weight790.98 g/mol
Exact Mass790.42
IUPAC Name2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
SMILESCCCC1=NC(=O)C(C)(C)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCCC1=NC(=O)C(C)(C)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H26N6O.C22H24N6O/c1-4-5-10-20-24-22(30)23(2,3)29(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21-25-27-28-26-21;1-4-7-19-23-21(29)22(2,3)28(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)20-24-26-27-25-20/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,25,26,27,28);5-6,8-13H,4,7,14H2,1-3H3,(H,24,25,26,27)
InChIKeyXPHHUJLVPRXWFQ-UHFFFAOYSA-N
XLogP8.10
TPSA174.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.98
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one with MolForge

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Related Compounds

5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
CID 15289541
5,5-dimethyl-2-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
CID 67903159
2-butyl-5-propan-2-ylidene-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
CID 10764285
2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydropyrimidin-6-one
CID 67903184
5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 14987334
5-[2-[4-[(5-butyl-3-methoxy-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903963
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
5-[2-[4-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903551
3-butyl-6-(2-phenylethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-oxadiazin-5-one
CID 10051432
3-(aminomethyl)-6-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CID 19012384
4-butyl-5-fluoro-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741229
2-hexyl-5-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 70201968

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one?
The IUPAC name of 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one (CID 67872812) is 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one.
What is the SMILES notation for 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one?
The canonical SMILES for 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one is CCCC1=NC(=O)C(C)(C)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCCC1=NC(=O)C(C)(C)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one?
The InChIKey is XPHHUJLVPRXWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O.C22H24N6O/c1-4-5-10-20-24-22(30)23(2,3)29(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21-25-27-28-26-21;1-4-7-19-23-21(29)22(2,3)28(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)20-24-26-27-25-20/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,25,26,27,28);5-6,8-13H,4,7,14H2,1-3H3,(H,24,25,26,27).
What are the key properties of 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one?
2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one has a molecular weight of 790.98 g/mol, XLogP of 8.10, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one is sourced from PubChem (CID 67872812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).