1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one

C24H27N11O — CID 19383682

IUPAC1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2nnnn2C(C)CC)c(=O)n1Cc1cnccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C24H27N11O/c1-4-6-20-15-34(23-28-31-32-35(23)16(3)5-2)24(36)33(20)14-19-13-25-12-11-21(19)17-7-9-18(10-8-17)22-26-29-30-27-22/h7-13,15-16H,4-6,14H2,1-3H3,(H,26,27,29,30)
InChIKeyBRCQBBALHZWWDL-UHFFFAOYSA-N
MW485.56 g/mol
LogP2.84
Rot. Bonds9

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

1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 19383682) has the molecular formula C24H27N11O and a molecular weight of 485.56 g/mol. Its IUPAC name is 1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID19383682
Molecular FormulaC24H27N11O
Molecular Weight485.56 g/mol
Exact Mass485.24
IUPAC Name1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2nnnn2C(C)CC)c(=O)n1Cc1cnccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C24H27N11O/c1-4-6-20-15-34(23-28-31-32-35(23)16(3)5-2)24(36)33(20)14-19-13-25-12-11-21(19)17-7-9-18(10-8-17)22-26-29-30-27-22/h7-13,15-16H,4-6,14H2,1-3H3,(H,26,27,29,30)
InChIKeyBRCQBBALHZWWDL-UHFFFAOYSA-N
XLogP2.84
TPSA137.88 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19384072
1-(1-propan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383496
4-butyl-1-(1-propyltetrazol-5-yl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383803
1-(4-ethyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383817
4-butyl-1-(1-propylimidazol-2-yl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383620
4-butyl-1-(3-methylbutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 10275385
4-butyl-1-[1-ethyl-3-(hydroxymethyl)pyrrol-2-yl]-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383226
ethyl 2-[4-butyl-2-oxo-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrrole-3-carboxylate
CID 19383568
1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383292
ethyl 2-[4-butyl-2-oxo-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-propylpyrrole-3-carboxylate
CID 19384158
1-(2-ethylphenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54351824
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 1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 19383682) is 1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCc1cn(-c2nnnn2C(C)CC)c(=O)n1Cc1cnccc1-c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is BRCQBBALHZWWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N11O/c1-4-6-20-15-34(23-28-31-32-35(23)16(3)5-2)24(36)33(20)14-19-13-25-12-11-21(19)17-7-9-18(10-8-17)22-26-29-30-27-22/h7-13,15-16H,4-6,14H2,1-3H3,(H,26,27,29,30).
What are the key properties of 1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 485.56 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 19383682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).