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

C26H29N9O — CID 19384072

IUPAC1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2nccn2C(C)CC)c(=O)n1Cc1cnccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C26H29N9O/c1-4-6-22-17-35(25-28-13-14-33(25)18(3)5-2)26(36)34(22)16-21-15-27-12-11-23(21)19-7-9-20(10-8-19)24-29-31-32-30-24/h7-15,17-18H,4-6,16H2,1-3H3,(H,29,30,31,32)
InChIKeyGCQHWGURWDYGQV-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.05
Rot. Bonds9

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

1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 19384072) has the molecular formula C26H29N9O and a molecular weight of 483.58 g/mol. Its IUPAC name is 1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID19384072
Molecular FormulaC26H29N9O
Molecular Weight483.58 g/mol
Exact Mass483.25
IUPAC Name1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2nccn2C(C)CC)c(=O)n1Cc1cnccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C26H29N9O/c1-4-6-22-17-35(25-28-13-14-33(25)18(3)5-2)26(36)34(22)16-21-15-27-12-11-23(21)19-7-9-20(10-8-19)24-29-31-32-30-24/h7-15,17-18H,4-6,16H2,1-3H3,(H,29,30,31,32)
InChIKeyGCQHWGURWDYGQV-UHFFFAOYSA-N
XLogP4.05
TPSA112.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
4-butyl-1-(1-propylimidazol-2-yl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383620
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
1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383518
4-butyl-1-(1-propyltetrazol-5-yl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383803
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-ethyl-3-(hydroxymethyl)pyrrol-2-yl]-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383226
4-butyl-1-(3-methylbutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 10275385
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylimidazol-2-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-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 19384072) is 1-(1-butan-2-ylimidazol-2-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-ylimidazol-2-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-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCc1cn(-c2nccn2C(C)CC)c(=O)n1Cc1cnccc1-c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is GCQHWGURWDYGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O/c1-4-6-22-17-35(25-28-13-14-33(25)18(3)5-2)26(36)34(22)16-21-15-27-12-11-23(21)19-7-9-20(10-8-19)24-29-31-32-30-24/h7-15,17-18H,4-6,16H2,1-3H3,(H,29,30,31,32).
What are the key properties of 1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 483.58 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 19384072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).