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

C28H29N7O — CID 18384327

IUPAC4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1cn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H29N7O/c1-2-3-9-24-20-34(17-15-21-7-5-4-6-8-21)28(36)35(24)19-22-10-12-23(13-11-22)25-14-16-29-18-26(25)27-30-32-33-31-27/h4-8,10-14,16,18,20H,2-3,9,15,17,19H2,1H3,(H,30,31,32,33)
InChIKeyDHYXLOQZJINFPL-UHFFFAOYSA-N
MW479.59 g/mol
LogP4.53
Rot. Bonds10

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

4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384327) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is 4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID18384327
Molecular FormulaC28H29N7O
Molecular Weight479.59 g/mol
Exact Mass479.24
IUPAC Name4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1cn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H29N7O/c1-2-3-9-24-20-34(17-15-21-7-5-4-6-8-21)28(36)35(24)19-22-10-12-23(13-11-22)25-14-16-29-18-26(25)27-30-32-33-31-27/h4-8,10-14,16,18,20H,2-3,9,15,17,19H2,1H3,(H,30,31,32,33)
InChIKeyDHYXLOQZJINFPL-UHFFFAOYSA-N
XLogP4.53
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-pentyl-1-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384550
1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384324
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
1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384303
4-butyl-1-(2-iodophenyl)-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 67839197
1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54476699
1-benzyl-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 10183375
1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384217
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384110
1-(2-ethylphenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54351824
4-butyl-1-(3-methylbutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 10275385

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384327) is 4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one is CCCCc1cn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is DHYXLOQZJINFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-2-3-9-24-20-34(17-15-21-7-5-4-6-8-21)28(36)35(24)19-22-10-12-23(13-11-22)25-14-16-29-18-26(25)27-30-32-33-31-27/h4-8,10-14,16,18,20H,2-3,9,15,17,19H2,1H3,(H,30,31,32,33).
What are the key properties of 4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 479.59 g/mol, XLogP of 4.53, 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-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).