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

C29H37N7O — CID 54521182

IUPAC4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C2C(C)CCC2C(C)C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C29H37N7O/c1-5-6-9-22-18-36(27-20(4)12-13-23(27)19(2)3)29(37)35(22)17-21-16-30-15-14-24(21)25-10-7-8-11-26(25)28-31-33-34-32-28/h7-8,10-11,14-16,18-20,23,27H,5-6,9,12-13,17H2,1-4H3,(H,31,32,33,34)
InChIKeyYPYINWKLVFFZRE-UHFFFAOYSA-N
MW499.66 g/mol
LogP5.53
Rot. Bonds9

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

4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 54521182) has the molecular formula C29H37N7O and a molecular weight of 499.66 g/mol. Its IUPAC name is 4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID54521182
Molecular FormulaC29H37N7O
Molecular Weight499.66 g/mol
Exact Mass499.31
IUPAC Name4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C2C(C)CCC2C(C)C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C29H37N7O/c1-5-6-9-22-18-36(27-20(4)12-13-23(27)19(2)3)29(37)35(22)17-21-16-30-15-14-24(21)25-10-7-8-11-26(25)28-31-33-34-32-28/h7-8,10-11,14-16,18-20,23,27H,5-6,9,12-13,17H2,1-4H3,(H,31,32,33,34)
InChIKeyYPYINWKLVFFZRE-UHFFFAOYSA-N
XLogP5.53
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-acetyl-8-propan-2-ylcyclooctyl)-4-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54511825
4-butyl-1-(2-methyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54388497
4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54156738
4-butyl-1-(2,8-diethylcyclooctyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 67809595
4-butyl-1-(2-methyl-4-oxocyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54371524
4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681547
1-(2-acetyl-3-methylcyclopropyl)-4-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681400
1-(2-acetyl-7-ethylcycloheptyl)-4-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54188046
4-butyl-1-(2-propan-2-ylcyclooctyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681521
4-butyl-1-(1-methyl-4-propan-2-ylpyrazol-5-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383941
4-butyl-1-[2,6-di(propan-2-yl)cyclohexyl]-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54192965
4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19384125

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 54521182) is 4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCCc1cn(C2C(C)CCC2C(C)C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is YPYINWKLVFFZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O/c1-5-6-9-22-18-36(27-20(4)12-13-23(27)19(2)3)29(37)35(22)17-21-16-30-15-14-24(21)25-10-7-8-11-26(25)28-31-33-34-32-28/h7-8,10-11,14-16,18-20,23,27H,5-6,9,12-13,17H2,1-4H3,(H,31,32,33,34).
What are the key properties of 4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 499.66 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 54521182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).