2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine

C34H35N7O2 — CID 67762749

IUPAC2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine
SMILESCCCCC1N=C2C=C(c3ccccc3)C(C3OCCCO3)N=C2N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C34H35N7O2/c1-2-3-14-30-35-29-21-28(24-10-5-4-6-11-24)31(34-42-19-9-20-43-34)36-33(29)41(30)22-23-15-17-25(18-16-23)26-12-7-8-13-27(26)32-37-39-40-38-32/h4-8,10-13,15-18,21,30-31,34H,2-3,9,14,19-20,22H2,1H3,(H,37,38,39,40)
InChIKeyUHTOBMVKJLODDT-UHFFFAOYSA-N
MW573.70 g/mol
LogP5.93
Rot. Bonds9

About 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine

2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine (PubChem CID 67762749) has the molecular formula C34H35N7O2 and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine
PubChem CID67762749
Molecular FormulaC34H35N7O2
Molecular Weight573.70 g/mol
Exact Mass573.29
IUPAC Name2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine
SMILESCCCCC1N=C2C=C(c3ccccc3)C(C3OCCCO3)N=C2N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C34H35N7O2/c1-2-3-14-30-35-29-21-28(24-10-5-4-6-11-24)31(34-42-19-9-20-43-34)36-33(29)41(30)22-23-15-17-25(18-16-23)26-12-7-8-13-27(26)32-37-39-40-38-32/h4-8,10-13,15-18,21,30-31,34H,2-3,9,14,19-20,22H2,1H3,(H,37,38,39,40)
InChIKeyUHTOBMVKJLODDT-UHFFFAOYSA-N
XLogP5.93
TPSA100.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-cyclohepta[d]imidazole
CID 140532537
1,4-dibutyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-2-one
CID 70234168
methyl 2-[8-butyl-3-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,8-dihydropurin-1-yl]acetate
CID 67911034
3-[3-methyl-8-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,8-dihydropurin-1-yl]propan-1-ol
CID 67911175
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3a,7a-dihydrobenzimidazole-4-carboxylic acid
CID 23590369
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazol-1-ide-4-carbaldehyde
CID 23720940
3-butyl-6-(2-phenylethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-oxadiazin-5-one
CID 10051432
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
5-pentyl-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 19391254
5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 14987334
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
5-[2-[4-[[2-butyl-4-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
CID 67649494

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine (CID 67762749) is 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine is CCCCC1N=C2C=C(c3ccccc3)C(C3OCCCO3)N=C2N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine?
The InChIKey is UHTOBMVKJLODDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O2/c1-2-3-14-30-35-29-21-28(24-10-5-4-6-11-24)31(34-42-19-9-20-43-34)36-33(29)41(30)22-23-15-17-25(18-16-23)26-12-7-8-13-27(26)32-37-39-40-38-32/h4-8,10-13,15-18,21,30-31,34H,2-3,9,14,19-20,22H2,1H3,(H,37,38,39,40).
What are the key properties of 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine?
2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine has a molecular weight of 573.70 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(1,3-dioxan-2-yl)-6-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,5-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 67762749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).