5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one

C26H25N7O — CID 18384354

IUPAC5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1c(C)n(-c2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H25N7O/c1-3-8-23-18(2)33(21-9-5-4-6-10-21)26(34)32(23)17-19-12-14-20(15-13-19)24-22(11-7-16-27-24)25-28-30-31-29-25/h4-7,9-16H,3,8,17H2,1-2H3,(H,28,29,30,31)
InChIKeyAVKLFZLQAABQMM-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.19
Rot. Bonds7

About 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one

5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384354) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID18384354
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1c(C)n(-c2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H25N7O/c1-3-8-23-18(2)33(21-9-5-4-6-10-21)26(34)32(23)17-19-12-14-20(15-13-19)24-22(11-7-16-27-24)25-28-30-31-29-25/h4-7,9-16H,3,8,17H2,1-2H3,(H,28,29,30,31)
InChIKeyAVKLFZLQAABQMM-UHFFFAOYSA-N
XLogP4.19
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one with MolForge

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Related Compounds

5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384258
4-butyl-5-chloro-1-phenyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384341
5-chloro-1-phenyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384915
1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384820
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384878
5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54255568
5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384558
5-chloro-4-pentyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384404
4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one
CID 67833895
1-cyclohexyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384636
1-methyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384633
5-chloro-1-phenyl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384576

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384354) is 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is CCCc1c(C)n(-c2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is AVKLFZLQAABQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-3-8-23-18(2)33(21-9-5-4-6-10-21)26(34)32(23)17-19-12-14-20(15-13-19)24-22(11-7-16-27-24)25-28-30-31-29-25/h4-7,9-16H,3,8,17H2,1-2H3,(H,28,29,30,31).
What are the key properties of 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 451.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).