5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole

C23H30N6 — CID 143686928

IUPAC5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole
SMILESCCCCC1NC(C)=C(C)N1Cc1ccc(-c2ccccc2C2=NNNN2)cc1
InChIInChI=1S/C23H30N6/c1-4-5-10-22-24-16(2)17(3)29(22)15-18-11-13-19(14-12-18)20-8-6-7-9-21(20)23-25-27-28-26-23/h6-9,11-14,22,24,27-28H,4-5,10,15H2,1-3H3,(H,25,26)
InChIKeyGPELHOLWXHOFCR-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.80
Rot. Bonds7

About 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole

5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole (PubChem CID 143686928) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole
PubChem CID143686928
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole
SMILESCCCCC1NC(C)=C(C)N1Cc1ccc(-c2ccccc2C2=NNNN2)cc1
InChIInChI=1S/C23H30N6/c1-4-5-10-22-24-16(2)17(3)29(22)15-18-11-13-19(14-12-18)20-8-6-7-9-21(20)23-25-27-28-26-23/h6-9,11-14,22,24,27-28H,4-5,10,15H2,1-3H3,(H,25,26)
InChIKeyGPELHOLWXHOFCR-UHFFFAOYSA-N
XLogP3.80
TPSA63.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)-1,2-dihydroimidazol-3-yl]methyl]phenyl]-N'-hydrazinylbenzenecarboximidamide
CID 170149855
methyl 2-butyl-3-[[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-[(E)-2-phenylethenyl]benzimidazole-5-carboxylate
CID 59609012
ethyl 2-butyl-8-hydroxy-6-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate
CID 54711708
disodium;ethyl 2-butyl-8-hydroxy-6-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride
CID 173336370
iodoform;methyl 2-butyl-3-[[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-[(E)-2-phenylethenyl]benzimidazole-5-carboxylate
CID 91359403
1,4-dibutyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-2-one
CID 70234168
(5-octyl-2-oxo-1,3-dioxol-4-yl)methyl 3-[[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxylate
CID 52948661
3-[[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(2-hydroxypropan-2-yl)-N-(6-nitrohexyl)-2-propylimidazole-4-carboxamide
CID 52948660
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl)-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2-dihydroquinazolin-4-one
CID 57268570
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazol-1-ide-4-carbaldehyde
CID 23720940
N,N'-diamino-2-[4-[(2-butyl-5-chloro-4-methyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]benzenecarboximidamide;6-nitrooxyhexoxycarbonyloxymethyl formate
CID 143701437
disodium;hydride;methyl 2-butyl-8-hydroxy-6-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate
CID 173336294

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole?
The IUPAC name of 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole (CID 143686928) is 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole.
What is the SMILES notation for 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole?
The canonical SMILES for 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole is CCCCC1NC(C)=C(C)N1Cc1ccc(-c2ccccc2C2=NNNN2)cc1.
What is the InChIKey of 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole?
The InChIKey is GPELHOLWXHOFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-4-5-10-22-24-16(2)17(3)29(22)15-18-11-13-19(14-12-18)20-8-6-7-9-21(20)23-25-27-28-26-23/h6-9,11-14,22,24,27-28H,4-5,10,15H2,1-3H3,(H,25,26).
What are the key properties of 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole?
5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole has a molecular weight of 390.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(2-butyl-4,5-dimethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]phenyl]-2,3-dihydro-1H-tetrazole is sourced from PubChem (CID 143686928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).