1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea

C19H20F2N6O — CID 136551099

IUPAC1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea
SMILESCC(C)(C)n1nnc(CNC(=O)Nc2ccccc2-c2c(F)cccc2F)n1
InChIInChI=1S/C19H20F2N6O/c1-19(2,3)27-25-16(24-26-27)11-22-18(28)23-15-10-5-4-7-12(15)17-13(20)8-6-9-14(17)21/h4-10H,11H2,1-3H3,(H2,22,23,28)
InChIKeyLPYUSZFJTJMGBO-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.69
Rot. Bonds4

About 1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea

1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea (PubChem CID 136551099) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea
PubChem CID136551099
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea
SMILESCC(C)(C)n1nnc(CNC(=O)Nc2ccccc2-c2c(F)cccc2F)n1
InChIInChI=1S/C19H20F2N6O/c1-19(2,3)27-25-16(24-26-27)11-22-18(28)23-15-10-5-4-7-12(15)17-13(20)8-6-9-14(17)21/h4-10H,11H2,1-3H3,(H2,22,23,28)
InChIKeyLPYUSZFJTJMGBO-UHFFFAOYSA-N
XLogP3.69
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
2-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethylurea
CID 135372057
1-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-3-(2-fluorophenyl)urea
CID 18565892
3-{[1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-1-(2-phenylethyl)urea
CID 16799342
1-(4-(tert-butyl)phenyl)-3-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 16799344
1-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)-3-phenethylurea
CID 18566023
1-(4-(tert-butyl)phenyl)-3-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 18566028
1-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-3-phenethylurea
CID 18566091
4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)-N-phenethylpiperazine-1-carboxamide
CID 30858625
4-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)-N-phenethylpiperazine-1-carboxamide
CID 30858651
1-[(1R)-2-(dimethylamino)-1-phenylethyl]-1-methyl-3-[3-(2-methyltetrazol-5-yl)phenyl]urea
CID 97934138
1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-[3-(2H-tetrazol-5-yl)phenyl]urea
CID 59862591

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea?
The IUPAC name of 1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea (CID 136551099) is 1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea.
What is the SMILES notation for 1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea?
The canonical SMILES for 1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea is CC(C)(C)n1nnc(CNC(=O)Nc2ccccc2-c2c(F)cccc2F)n1.
What is the InChIKey of 1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea?
The InChIKey is LPYUSZFJTJMGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-19(2,3)27-25-16(24-26-27)11-22-18(28)23-15-10-5-4-7-12(15)17-13(20)8-6-9-14(17)21/h4-10H,11H2,1-3H3,(H2,22,23,28).
What are the key properties of 1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea?
1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea has a molecular weight of 386.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[2-(2,6-difluorophenyl)phenyl]urea is sourced from PubChem (CID 136551099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).