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

C28H35N7O — CID 54156738

IUPAC4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C2C(CC)C2C(C)C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C28H35N7O/c1-5-7-10-20-17-35(26-21(6-2)25(26)18(3)4)28(36)34(20)16-19-15-29-14-13-22(19)23-11-8-9-12-24(23)27-30-32-33-31-27/h8-9,11-15,17-18,21,25-26H,5-7,10,16H2,1-4H3,(H,30,31,32,33)
InChIKeyOLPPFCUDLDKRAP-UHFFFAOYSA-N
MW485.64 g/mol
LogP5.14
Rot. Bonds10

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

4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 54156738) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID54156738
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Name4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C2C(CC)C2C(C)C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C28H35N7O/c1-5-7-10-20-17-35(26-21(6-2)25(26)18(3)4)28(36)34(20)16-19-15-29-14-13-22(19)23-11-8-9-12-24(23)27-30-32-33-31-27/h8-9,11-15,17-18,21,25-26H,5-7,10,16H2,1-4H3,(H,30,31,32,33)
InChIKeyOLPPFCUDLDKRAP-UHFFFAOYSA-N
XLogP5.14
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.64
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(2,8-diethylcyclooctyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 67809595
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
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-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-4-oxocyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54371524
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-(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-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19384125
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-(2-ethyl-3-oxocyclopropyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681388

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 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) is 4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCCc1cn(C2C(CC)C2C(C)C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is OLPPFCUDLDKRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-5-7-10-20-17-35(26-21(6-2)25(26)18(3)4)28(36)34(20)16-19-15-29-14-13-22(19)23-11-8-9-12-24(23)27-30-32-33-31-27/h8-9,11-15,17-18,21,25-26H,5-7,10,16H2,1-4H3,(H,30,31,32,33).
What are the key properties of 4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 485.64 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 54156738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).