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

C23H27N7O — CID 18384626

IUPAC4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C(C)C)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H27N7O/c1-4-5-7-19-15-29(16(2)3)23(31)30(19)14-17-9-11-18(12-10-17)20-8-6-13-24-21(20)22-25-27-28-26-22/h6,8-13,15-16H,4-5,7,14H2,1-3H3,(H,25,26,27,28)
InChIKeyJGCZYIVGVRRBDI-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.86
Rot. Bonds8

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

4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384626) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID18384626
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C(C)C)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H27N7O/c1-4-5-7-19-15-29(16(2)3)23(31)30(19)14-17-9-11-18(12-10-17)20-8-6-13-24-21(20)22-25-27-28-26-22/h6,8-13,15-16H,4-5,7,14H2,1-3H3,(H,25,26,27,28)
InChIKeyJGCZYIVGVRRBDI-UHFFFAOYSA-N
XLogP3.86
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-pentyl-1-propan-2-yl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384412
4-pentyl-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384899
4-butyl-1-(2-ethyl-6-propylphenyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54528619
4-butyl-1-(2-ethyl-6-methylphenyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54263380
2-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-1-yl]-3-methylbenzoic acid
CID 54483352
1-methyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384633
4-butyl-1-(1-cyclopropylethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 67754920
4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384245
1-butan-2-yl-4-hexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741012
1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384777
5-chloro-1-propan-2-yl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384628
4-butyl-1-(2-propan-2-ylphenyl)-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54246670

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384626) is 4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is CCCCc1cn(C(C)C)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is JGCZYIVGVRRBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-4-5-7-19-15-29(16(2)3)23(31)30(19)14-17-9-11-18(12-10-17)20-8-6-13-24-21(20)22-25-27-28-26-22/h6,8-13,15-16H,4-5,7,14H2,1-3H3,(H,25,26,27,28).
What are the key properties of 4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 417.52 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).