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

C23H27N7O — CID 70340304

IUPAC4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
SMILESCCCCc1c(CCC)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C23H27N7O/c1-3-5-11-21-20(8-4-2)25-23(31)30(21)15-16-12-13-19(24-14-16)17-9-6-7-10-18(17)22-26-28-29-27-22/h6-7,9-10,12-14H,3-5,8,11,15H2,1-2H3,(H,25,31)(H,26,27,28,29)
InChIKeyDQKPIKHIGOEDIU-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.76
Rot. Bonds9

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

4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one (PubChem CID 70340304) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
PubChem CID70340304
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
SMILESCCCCc1c(CCC)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C23H27N7O/c1-3-5-11-21-20(8-4-2)25-23(31)30(21)15-16-12-13-19(24-14-16)17-9-6-7-10-18(17)22-26-28-29-27-22/h6-7,9-10,12-14H,3-5,8,11,15H2,1-2H3,(H,25,31)(H,26,27,28,29)
InChIKeyDQKPIKHIGOEDIU-UHFFFAOYSA-N
XLogP3.76
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
CID 70339829
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
5-chloro-1-phenyl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384576
4-butyl-1-(2-hydroxycyclopropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681560
5-[(3-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976461
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
[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 4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The IUPAC name of 4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one (CID 70340304) is 4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one.
What is the SMILES notation for 4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The canonical SMILES for 4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one is CCCCc1c(CCC)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.
What is the InChIKey of 4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The InChIKey is DQKPIKHIGOEDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-3-5-11-21-20(8-4-2)25-23(31)30(21)15-16-12-13-19(24-14-16)17-9-6-7-10-18(17)22-26-28-29-27-22/h6-7,9-10,12-14H,3-5,8,11,15H2,1-2H3,(H,25,31)(H,26,27,28,29).
What are the key properties of 4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one has a molecular weight of 417.52 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one is sourced from PubChem (CID 70340304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).