1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea

C17H17ClN6O3 — CID 18566055

IUPAC1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2nnnn2-c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C17H17ClN6O3/c1-26-13-7-8-14(15(9-13)27-2)20-17(25)19-10-16-21-22-23-24(16)12-5-3-11(18)4-6-12/h3-9H,10H2,1-2H3,(H2,19,20,25)
InChIKeyAUPUQSUIZRUCKQ-UHFFFAOYSA-N
MW388.82 g/mol
LogP2.65
Rot. Bonds6

About 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea

1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea (PubChem CID 18566055) has the molecular formula C17H17ClN6O3 and a molecular weight of 388.82 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea
PubChem CID18566055
Molecular FormulaC17H17ClN6O3
Molecular Weight388.82 g/mol
Exact Mass388.11
IUPAC Name1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2nnnn2-c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C17H17ClN6O3/c1-26-13-7-8-14(15(9-13)27-2)20-17(25)19-10-16-21-22-23-24(16)12-5-3-11(18)4-6-12/h3-9H,10H2,1-2H3,(H2,19,20,25)
InChIKeyAUPUQSUIZRUCKQ-UHFFFAOYSA-N
XLogP2.65
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea (CID 18566055) is 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NCc2nnnn2-c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is AUPUQSUIZRUCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3/c1-26-13-7-8-14(15(9-13)27-2)20-17(25)19-10-16-21-22-23-24(16)12-5-3-11(18)4-6-12/h3-9H,10H2,1-2H3,(H2,19,20,25).
What are the key properties of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea?
1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 388.82 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 18566055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).