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

C20H21N7O — CID 18384303

IUPAC1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1cn(C)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C20H21N7O/c1-3-4-16-13-26(2)20(28)27(16)12-14-5-7-15(8-6-14)17-9-10-21-11-18(17)19-22-24-25-23-19/h5-11,13H,3-4,12H2,1-2H3,(H,22,23,24,25)
InChIKeySITIRGTWXTWWKM-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.43
Rot. Bonds6

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

1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384303) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID18384303
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1cn(C)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C20H21N7O/c1-3-4-16-13-26(2)20(28)27(16)12-14-5-7-15(8-6-14)17-9-10-21-11-18(17)19-22-24-25-23-19/h5-11,13H,3-4,12H2,1-2H3,(H,22,23,24,25)
InChIKeySITIRGTWXTWWKM-UHFFFAOYSA-N
XLogP2.43
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one with MolForge

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Related Compounds

1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54476699
4-pentyl-1-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384550
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-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384327
1-butyl-5-chloro-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384137
1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384324
1-(2-bromo-6-ethylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54318316
4-butyl-1-phenyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384701
4-butyl-1-(2-ethylphenyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 70277185
5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384333
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384110
1-butan-2-yl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740663

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384303) is 1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one is CCCc1cn(C)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1.
What is the InChIKey of 1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is SITIRGTWXTWWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-3-4-16-13-26(2)20(28)27(16)12-14-5-7-15(8-6-14)17-9-10-21-11-18(17)19-22-24-25-23-19/h5-11,13H,3-4,12H2,1-2H3,(H,22,23,24,25).
What are the key properties of 1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 375.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).