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

C31H32N6O2 — CID 67649494

IUPAC5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
SMILESCCCCc1nc(C2OCCCO2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)c(-c2ccccc2)c1
InChIInChI=1S/C31H32N6O2/c1-2-3-14-29-32-28(31-38-17-9-18-39-31)21-37(29)20-22-15-16-25(27(19-22)23-10-5-4-6-11-23)24-12-7-8-13-26(24)30-33-35-36-34-30/h4-8,10-13,15-16,19,21,31H,2-3,9,14,17-18,20H2,1H3,(H,33,34,35,36)
InChIKeySWXUVPGNBPKNRV-UHFFFAOYSA-N
MW520.64 g/mol
LogP6.22
Rot. Bonds9

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

5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole (PubChem CID 67649494) has the molecular formula C31H32N6O2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
PubChem CID67649494
Molecular FormulaC31H32N6O2
Molecular Weight520.64 g/mol
Exact Mass520.26
IUPAC Name5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
SMILESCCCCc1nc(C2OCCCO2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)c(-c2ccccc2)c1
InChIInChI=1S/C31H32N6O2/c1-2-3-14-29-32-28(31-38-17-9-18-39-31)21-37(29)20-22-15-16-25(27(19-22)23-10-5-4-6-11-23)24-12-7-8-13-26(24)30-33-35-36-34-30/h4-8,10-13,15-16,19,21,31H,2-3,9,14,17-18,20H2,1H3,(H,33,34,35,36)
InChIKeySWXUVPGNBPKNRV-UHFFFAOYSA-N
XLogP6.22
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-[4-[[2-butyl-4-(1,3-dioxan-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-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
CID 67647571
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 67940252
[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
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
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798
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-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
2-butyl-5-(1,3-dioxan-2-yl)-6-pyridin-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22100413
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
4-butyl-1-cyclopentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 67755019
5-butyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,4,6,9-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-2,8-dione
CID 19391249

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole (CID 67649494) is 5-[2-[4-[[2-butyl-4-(1,3-dioxan-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-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole is CCCCc1nc(C2OCCCO2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)c(-c2ccccc2)c1.
What is the InChIKey of 5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole?
The InChIKey is SWXUVPGNBPKNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O2/c1-2-3-14-29-32-28(31-38-17-9-18-39-31)21-37(29)20-22-15-16-25(27(19-22)23-10-5-4-6-11-23)24-12-7-8-13-26(24)30-33-35-36-34-30/h4-8,10-13,15-16,19,21,31H,2-3,9,14,17-18,20H2,1H3,(H,33,34,35,36).
What are the key properties of 5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole?
5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole has a molecular weight of 520.64 g/mol, XLogP of 6.22, 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-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 67649494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).