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

C16H13N7O — CID 57021325

IUPAC3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C16H13N7O/c24-16-18-7-8-23(16)10-11-1-3-12(4-2-11)13-5-6-17-9-14(13)15-19-21-22-20-15/h1-9H,10H2,(H,18,24)(H,19,20,21,22)
InChIKeyVWGUJALCXQDRHA-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.47
Rot. Bonds4

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

3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one (PubChem CID 57021325) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one
PubChem CID57021325
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C16H13N7O/c24-16-18-7-8-23(16)10-11-1-3-12(4-2-11)13-5-6-17-9-14(13)15-19-21-22-20-15/h1-9H,10H2,(H,18,24)(H,19,20,21,22)
InChIKeyVWGUJALCXQDRHA-UHFFFAOYSA-N
XLogP1.47
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-pentyl-1-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384550
1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384303
5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384333
1-butyl-5-chloro-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384137
1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54476699
5-methyl-4-pentyl-1-propan-2-yl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384562
4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384327
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384110
1-[1-(2,6-difluorophenyl)butyl]-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 67813077
4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 18700837
5-(2-iodophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]-1H-imidazol-2-one
CID 67810662
4-butyl-1-phenyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384701

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one (CID 57021325) is 3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one is O=c1[nH]ccn1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one?
The InChIKey is VWGUJALCXQDRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c24-16-18-7-8-23(16)10-11-1-3-12(4-2-11)13-5-6-17-9-14(13)15-19-21-22-20-15/h1-9H,10H2,(H,18,24)(H,19,20,21,22).
What are the key properties of 3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one?
3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one has a molecular weight of 319.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one is sourced from PubChem (CID 57021325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).