5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole

C30H30N6O2 — CID 67647571

IUPAC5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
SMILESCCCCc1nc(C2OCCO2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)c(-c2ccccc2)c1
InChIInChI=1S/C30H30N6O2/c1-2-3-13-28-31-27(30-37-16-17-38-30)20-36(28)19-21-14-15-24(26(18-21)22-9-5-4-6-10-22)23-11-7-8-12-25(23)29-32-34-35-33-29/h4-12,14-15,18,20,30H,2-3,13,16-17,19H2,1H3,(H,32,33,34,35)
InChIKeyLTPOGWRVVZGBSW-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.83
Rot. Bonds9

About 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole

5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole (PubChem CID 67647571) has the molecular formula C30H30N6O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
PubChem CID67647571
Molecular FormulaC30H30N6O2
Molecular Weight506.61 g/mol
Exact Mass506.24
IUPAC Name5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
SMILESCCCCc1nc(C2OCCO2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)c(-c2ccccc2)c1
InChIInChI=1S/C30H30N6O2/c1-2-3-13-28-31-27(30-37-16-17-38-30)20-36(28)19-21-14-15-24(26(18-21)22-9-5-4-6-10-22)23-11-7-8-12-25(23)29-32-34-35-33-29/h4-12,14-15,18,20,30H,2-3,13,16-17,19H2,1H3,(H,32,33,34,35)
InChIKeyLTPOGWRVVZGBSW-UHFFFAOYSA-N
XLogP5.83
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole with MolForge

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Related Compounds

5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
CID 67649494
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 67940252
2-butyl-5-(1,3-dioxolan-2-yl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-pyridin-3-ylimidazo[4,5-b]pyridine
CID 67759877
[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
2-butyl-5-methylsulfanyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxylic acid
CID 67710440
5-[2-[4-[[2-butyl-4-chloro-5-(5,5-dimethyl-1,3-dioxan-2-yl)imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 70296226
2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid
CID 23363057
5-[2-[4-[(2,5-dibutyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;ethane
CID 145006110
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole (CID 67647571) is 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole is CCCCc1nc(C2OCCO2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)c(-c2ccccc2)c1.
What is the InChIKey of 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole?
The InChIKey is LTPOGWRVVZGBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2/c1-2-3-13-28-31-27(30-37-16-17-38-30)20-36(28)19-21-14-15-24(26(18-21)22-9-5-4-6-10-22)23-11-7-8-12-25(23)29-32-34-35-33-29/h4-12,14-15,18,20,30H,2-3,13,16-17,19H2,1H3,(H,32,33,34,35).
What are the key properties of 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole?
5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole has a molecular weight of 506.61 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 67647571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).