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

C19H19FN6O — CID 23647073

IUPAC1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3nnnn3-c3ccc(F)c(C)c3)ccc21
InChIInChI=1S/C19H19FN6O/c1-4-24-16-9-6-13(11-17(16)25(5-2)19(24)27)18-21-22-23-26(18)14-7-8-15(20)12(3)10-14/h6-11H,4-5H2,1-3H3
InChIKeyOPUUNQCCYCLCPC-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.93
Rot. Bonds4

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

1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one (PubChem CID 23647073) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one
PubChem CID23647073
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3nnnn3-c3ccc(F)c(C)c3)ccc21
InChIInChI=1S/C19H19FN6O/c1-4-24-16-9-6-13(11-17(16)25(5-2)19(24)27)18-21-22-23-26(18)14-7-8-15(20)12(3)10-14/h6-11H,4-5H2,1-3H3
InChIKeyOPUUNQCCYCLCPC-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-[5-(4-fluoro-3-methylphenyl)-1H-1,2,3,4-tetrazol-1-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647072
4-cyclopentyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one
CID 146322296
3-[1-[1-(1-benzyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360348
1-(8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
CID 101886899
methyl 8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
CID 118721212
3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360397
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1-methylurea
CID 84601059
N-(4-fluorobenzyl)-4-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)piperazine-1-carboxamide
CID 29340494
1-(4-Fluorophenyl)-5-phenyl-3-(pyrrolidine-1-carbonyl)-1H-1,2,4-triazole
CID 50745665
1-[4-[(4-Fluorophenyl)methyl-methylamino]butyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 16058691
1-[3-(1-Ethyltetrazol-5-yl)phenyl]-3-[4-[(4-fluorophenyl)methyl-methylamino]butyl]urea
CID 16662804
1-[4-[(4-Fluorophenyl)methyl-methylamino]butyl]-3-[3-(1-propan-2-yltetrazol-5-yl)phenyl]urea
CID 16662805

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one (CID 23647073) is 1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3nnnn3-c3ccc(F)c(C)c3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one?
The InChIKey is OPUUNQCCYCLCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-4-24-16-9-6-13(11-17(16)25(5-2)19(24)27)18-21-22-23-26(18)14-7-8-15(20)12(3)10-14/h6-11H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one?
1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)tetrazol-5-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-[1-(4-fluoro-3-methylphenyl)tetrazol-5-yl]benzimidazol-2-one is sourced from PubChem (CID 23647073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).