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

C25H28N10O — CID 19383780

IUPAC1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2nncn2CC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C25H28N10O/c1-4-7-20-15-35(24-30-27-16-33(24)13-17(2)3)25(36)34(20)14-19-11-10-18(12-26-19)21-8-5-6-9-22(21)23-28-31-32-29-23/h5-6,8-12,15-17H,4,7,13-14H2,1-3H3,(H,28,29,31,32)
InChIKeyKIHUKJVENIZOLL-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.13
Rot. Bonds9

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

1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 19383780) has the molecular formula C25H28N10O and a molecular weight of 484.57 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
PubChem CID19383780
Molecular FormulaC25H28N10O
Molecular Weight484.57 g/mol
Exact Mass484.24
IUPAC Name1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2nncn2CC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C25H28N10O/c1-4-7-20-15-35(24-30-27-16-33(24)13-17(2)3)25(36)34(20)14-19-11-10-18(12-26-19)21-8-5-6-9-22(21)23-28-31-32-29-23/h5-6,8-12,15-17H,4,7,13-14H2,1-3H3,(H,28,29,31,32)
InChIKeyKIHUKJVENIZOLL-UHFFFAOYSA-N
XLogP3.13
TPSA124.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
2-[2-oxo-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]benzoic acid
CID 54356266
1-benzyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384220
1-butyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384951
4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383744
1-(2-tert-butyl-6-methylphenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54466227
1-(2-tert-butyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54574108
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
1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54148410
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
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 19383780) is 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCc1cn(-c2nncn2CC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.
What is the InChIKey of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The InChIKey is KIHUKJVENIZOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N10O/c1-4-7-20-15-35(24-30-27-16-33(24)13-17(2)3)25(36)34(20)14-19-11-10-18(12-26-19)21-8-5-6-9-22(21)23-28-31-32-29-23/h5-6,8-12,15-17H,4,7,13-14H2,1-3H3,(H,28,29,31,32).
What are the key properties of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one has a molecular weight of 484.57 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 19383780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).