1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one

C26H29N9O — CID 19383518

IUPAC1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2nccn2C(C)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C26H29N9O/c1-4-8-20-17-35(25-27-13-14-33(25)18(3)5-2)26(36)34(20)16-19-11-12-23(28-15-19)21-9-6-7-10-22(21)24-29-31-32-30-24/h6-7,9-15,17-18H,4-5,8,16H2,1-3H3,(H,29,30,31,32)
InChIKeyAODVBYRKPUCWEQ-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.05
Rot. Bonds9

About 1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one

1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 19383518) 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-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID19383518
Molecular FormulaC26H29N9O
Molecular Weight483.58 g/mol
Exact Mass483.25
IUPAC Name1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2nccn2C(C)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C26H29N9O/c1-4-8-20-17-35(25-27-13-14-33(25)18(3)5-2)26(36)34(20)16-19-11-12-23(28-15-19)21-9-6-7-10-22(21)24-29-31-32-30-24/h6-7,9-15,17-18H,4-5,8,16H2,1-3H3,(H,29,30,31,32)
InChIKeyAODVBYRKPUCWEQ-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-ylimidazol-2-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19384072
1-(2-ethyl-6-propan-2-ylphenyl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54115519
1-(2-tert-butyl-6-fluorophenyl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54542392
1-butan-2-yl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740663
4-butyl-1-(3-chloro-1-propan-2-ylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383726
4-butyl-1-(1-ethylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 15293155
1-(3-acetyl-1-propan-2-ylpyrrol-2-yl)-4-butyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383715
2-[4-butyl-2-oxo-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-propan-2-ylpyrrole-3-carbaldehyde
CID 19383648
4-butyl-1-(3-propan-2-yl-1-propylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383672
4-butyl-1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19384050
4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383626
4-butyl-1-(2-tert-butyl-6-methylphenyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54458184

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(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-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 19383518) is 1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(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-[[6-[2-(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-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCc1cn(-c2nccn2C(C)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.
What is the InChIKey of 1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is AODVBYRKPUCWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O/c1-4-8-20-17-35(25-27-13-14-33(25)18(3)5-2)26(36)34(20)16-19-11-12-23(28-15-19)21-9-6-7-10-22(21)24-29-31-32-30-24/h6-7,9-15,17-18H,4-5,8,16H2,1-3H3,(H,29,30,31,32).
What are the key properties of 1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
1-(1-butan-2-ylimidazol-2-yl)-4-propyl-3-[[6-[2-(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-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 19383518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).