5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one

C25H31N7O — CID 70339829

IUPAC5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
SMILESCCCCc1[nH]c(=O)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)nc2)c1CCC(C)C
InChIInChI=1S/C25H31N7O/c1-4-5-10-22-23(14-11-17(2)3)32(25(33)27-22)16-18-12-13-21(26-15-18)19-8-6-7-9-20(19)24-28-30-31-29-24/h6-9,12-13,15,17H,4-5,10-11,14,16H2,1-3H3,(H,27,33)(H,28,29,30,31)
InChIKeyOTQHMLOAMAWZCI-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.40
Rot. Bonds10

About 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one

5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one (PubChem CID 70339829) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
PubChem CID70339829
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
SMILESCCCCc1[nH]c(=O)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)nc2)c1CCC(C)C
InChIInChI=1S/C25H31N7O/c1-4-5-10-22-23(14-11-17(2)3)32(25(33)27-22)16-18-12-13-21(26-15-18)19-8-6-7-9-20(19)24-28-30-31-29-24/h6-9,12-13,15,17H,4-5,10-11,14,16H2,1-3H3,(H,27,33)(H,28,29,30,31)
InChIKeyOTQHMLOAMAWZCI-UHFFFAOYSA-N
XLogP4.40
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one with MolForge

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Related Compounds

4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
CID 70340304
4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
CID 67833969
4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
CID 67833986
1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384577
1-benzyl-5-methyl-4-pentyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384856
5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384286
4-butyl-1-(2-hydroxycyclopropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681560
4-butyl-1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19384050
5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane
CID 143417079
4-butyl-1-(1-ethylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 15293155
5-chloro-1-phenyl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384576
[2-butyl-6-oxo-1-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-4-pyridinyl] hydrogen carbonate;hydrochloride
CID 67704814

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The IUPAC name of 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one (CID 70339829) is 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one is CCCCc1[nH]c(=O)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)nc2)c1CCC(C)C.
What is the InChIKey of 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The InChIKey is OTQHMLOAMAWZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-4-5-10-22-23(14-11-17(2)3)32(25(33)27-22)16-18-12-13-21(26-15-18)19-8-6-7-9-20(19)24-28-30-31-29-24/h6-9,12-13,15,17H,4-5,10-11,14,16H2,1-3H3,(H,27,33)(H,28,29,30,31).
What are the key properties of 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one has a molecular weight of 445.57 g/mol, XLogP of 4.40, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one is sourced from PubChem (CID 70339829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).