1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one

C19H19FN6O — CID 23647072

IUPAC1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-n3nnnc3-c3ccc(F)c(C)c3)ccc21
InChIInChI=1S/C19H19FN6O/c1-4-24-16-9-7-14(11-17(16)25(5-2)19(24)27)26-18(21-22-23-26)13-6-8-15(20)12(3)10-13/h6-11H,4-5H2,1-3H3
InChIKeyGLHPICRSCLNZFX-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.93
Rot. Bonds4

About 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one

1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one (PubChem CID 23647072) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one
PubChem CID23647072
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-n3nnnc3-c3ccc(F)c(C)c3)ccc21
InChIInChI=1S/C19H19FN6O/c1-4-24-16-9-7-14(11-17(16)25(5-2)19(24)27)26-18(21-22-23-26)13-6-8-15(20)12(3)10-13/h6-11H,4-5H2,1-3H3
InChIKeyGLHPICRSCLNZFX-UHFFFAOYSA-N
XLogP2.93
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647073
1,3-dimethyl-5-[3-(3-methylphenyl)-4H-1,2,4-triazol-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647071
3-[1-[cyclopropyl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360324
(2S)-2-(2,6-dimethylphenyl)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 164633498
10-(4-Fluorophenyl)-8-[(4-methylphenyl)methyl]-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one
CID 132915764
2-(2,6-dimethylphenyl)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 136589623
5-[(4-fluorophenyl)methyl-[3-(2H-tetrazol-5-yl)propyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 167745709
1,3-Dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one
CID 71990919
1,3-dimethyl-5-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]benzimidazol-2-one
CID 97581047
1,3-dimethyl-5-[[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]amino]benzimidazol-2-one
CID 97581048
8-Butyl-10-(3-methylphenyl)-2,3,4,5,8,10,12-heptazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,11,13,15-hexaen-9-one
CID 132915759

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one (CID 23647072) is 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-n3nnnc3-c3ccc(F)c(C)c3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one?
The InChIKey is GLHPICRSCLNZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-4-24-16-9-7-14(11-17(16)25(5-2)19(24)27)26-18(21-22-23-26)13-6-8-15(20)12(3)10-13/h6-11H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one?
1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one has a molecular weight of 366.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]benzimidazol-2-one is sourced from PubChem (CID 23647072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).