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

C26H31FN6O — CID 67910457

IUPAC4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
SMILESCCCCc1c(F)n(CCC(C)C)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C26H31FN6O/c1-4-5-11-23-24(27)32(15-14-18(2)3)26(34)33(23)17-19-12-13-21(20-9-7-6-8-10-20)22(16-19)25-28-30-31-29-25/h6-10,12-13,16,18H,4-5,11,14-15,17H2,1-3H3,(H,28,29,30,31)
InChIKeyYDKWEXTWQYDQQW-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.07
Rot. Bonds10

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

4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one (PubChem CID 67910457) has the molecular formula C26H31FN6O and a molecular weight of 462.57 g/mol. Its IUPAC name is 4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
PubChem CID67910457
Molecular FormulaC26H31FN6O
Molecular Weight462.57 g/mol
Exact Mass462.25
IUPAC Name4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
SMILESCCCCc1c(F)n(CCC(C)C)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C26H31FN6O/c1-4-5-11-23-24(27)32(15-14-18(2)3)26(34)33(23)17-19-12-13-21(20-9-7-6-8-10-20)22(16-19)25-28-30-31-29-25/h6-10,12-13,16,18H,4-5,11,14-15,17H2,1-3H3,(H,28,29,30,31)
InChIKeyYDKWEXTWQYDQQW-UHFFFAOYSA-N
XLogP5.07
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-butyl-5-fluoro-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741229
4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
CID 67910519
4-butyl-5-fluoro-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741476
4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384245
5-(fluoromethyl)-1,4-bis(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741437
5-fluoro-4-(3-methylbutyl)-1-pentanoyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740942
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 67940252
1-ethyl-5-(fluoromethyl)-4-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740066
5-chloro-4-(3-methylbutyl)-1-(2-phenylethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740813
5-chloro-4-(3-methylbutyl)-1-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741199
[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one (CID 67910457) is 4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one is CCCCc1c(F)n(CCC(C)C)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one?
The InChIKey is YDKWEXTWQYDQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O/c1-4-5-11-23-24(27)32(15-14-18(2)3)26(34)33(23)17-19-12-13-21(20-9-7-6-8-10-20)22(16-19)25-28-30-31-29-25/h6-10,12-13,16,18H,4-5,11,14-15,17H2,1-3H3,(H,28,29,30,31).
What are the key properties of 4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one?
4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one has a molecular weight of 462.57 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-fluoro-1-(3-methylbutyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 67910457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).