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

C23H25N11O — CID 19383744

IUPAC4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(-c2nnnn2CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C23H25N11O/c1-3-5-8-18-15-33(22-27-30-31-34(22)4-2)23(35)32(18)14-17-12-11-16(13-24-17)19-9-6-7-10-20(19)21-25-28-29-26-21/h6-7,9-13,15H,3-5,8,14H2,1-2H3,(H,25,26,28,29)
InChIKeyQDZABLOAZPXJND-UHFFFAOYSA-N
MW471.53 g/mol
LogP2.28
Rot. Bonds9

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

4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 19383744) has the molecular formula C23H25N11O and a molecular weight of 471.53 g/mol. Its IUPAC name is 4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
PubChem CID19383744
Molecular FormulaC23H25N11O
Molecular Weight471.53 g/mol
Exact Mass471.22
IUPAC Name4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(-c2nnnn2CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C23H25N11O/c1-3-5-8-18-15-33(22-27-30-31-34(22)4-2)23(35)32(18)14-17-12-11-16(13-24-17)19-9-6-7-10-20(19)21-25-28-29-26-21/h6-7,9-13,15H,3-5,8,14H2,1-2H3,(H,25,26,28,29)
InChIKeyQDZABLOAZPXJND-UHFFFAOYSA-N
XLogP2.28
TPSA137.88 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4-butyl-1-(2-tert-butyl-1,2,4-triazol-3-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383499
4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 70279460
4-butyl-1-(4-ethyl-1-methylpyrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383428
4-butyl-1-(4-chloro-1-methylpyrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383663
1-benzyl-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 10183375
4-butyl-1-[1,4-di(propan-2-yl)pyrazol-5-yl]-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19384156
1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383393
4-butyl-1-(3-chloro-1-propylpyrrol-2-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19384197
4-butyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrrol-2-yl]-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19384055
4-butyl-1-(2-fluoro-6-propan-2-ylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54357500
1-butyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384951
1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54297706

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 19383744) is 4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCCc1cn(-c2nnnn2CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.
What is the InChIKey of 4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The InChIKey is QDZABLOAZPXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N11O/c1-3-5-8-18-15-33(22-27-30-31-34(22)4-2)23(35)32(18)14-17-12-11-16(13-24-17)19-9-6-7-10-20(19)21-25-28-29-26-21/h6-7,9-13,15H,3-5,8,14H2,1-2H3,(H,25,26,28,29).
What are the key properties of 4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one has a molecular weight of 471.53 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 19383744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).