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

C26H29N7O2 — CID 54407073

IUPAC4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C2C(=O)C2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C26H29N7O2/c1-4-5-8-19-15-33(23-22(16(2)3)24(23)34)26(35)32(19)14-18-12-11-17(13-27-18)20-9-6-7-10-21(20)25-28-30-31-29-25/h6-7,9-13,15-16,22-23H,4-5,8,14H2,1-3H3,(H,28,29,30,31)
InChIKeyVRLWXUYFLUQRDE-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.68
Rot. Bonds9

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

4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 54407073) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
PubChem CID54407073
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C2C(=O)C2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C26H29N7O2/c1-4-5-8-19-15-33(23-22(16(2)3)24(23)34)26(35)32(19)14-18-12-11-17(13-27-18)20-9-6-7-10-21(20)25-28-30-31-29-25/h6-7,9-13,15-16,22-23H,4-5,8,14H2,1-3H3,(H,28,29,30,31)
InChIKeyVRLWXUYFLUQRDE-UHFFFAOYSA-N
XLogP3.68
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54297706
4-butyl-1-(2-tert-butylcyclobutyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54229068
1-benzyl-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 10183375
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-(2-methoxycyclooctyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54011977
1-butyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384951
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-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383744
4-butyl-1-[1,4-di(propan-2-yl)pyrazol-5-yl]-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19384156
4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 70279460
4-butyl-1-(4-ethyl-1-methylpyrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383428

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 54407073) is 4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCCc1cn(C2C(=O)C2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.
What is the InChIKey of 4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The InChIKey is VRLWXUYFLUQRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-4-5-8-19-15-33(23-22(16(2)3)24(23)34)26(35)32(19)14-18-12-11-17(13-27-18)20-9-6-7-10-21(20)25-28-30-31-29-25/h6-7,9-13,15-16,22-23H,4-5,8,14H2,1-3H3,(H,28,29,30,31).
What are the key properties of 4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one has a molecular weight of 471.57 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 54407073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).