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

C17H17ClN6O — CID 18566057

IUPAC1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN6O/c18-14-6-8-15(9-7-14)24-16(21-22-23-24)12-20-17(25)19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,19,20,25)
InChIKeyYYWUDAHRKXJTOP-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.36
Rot. Bonds6

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

1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea (PubChem CID 18566057) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea
PubChem CID18566057
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN6O/c18-14-6-8-15(9-7-14)24-16(21-22-23-24)12-20-17(25)19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,19,20,25)
InChIKeyYYWUDAHRKXJTOP-UHFFFAOYSA-N
XLogP2.36
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea (CID 18566057) is 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea?
The InChIKey is YYWUDAHRKXJTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c18-14-6-8-15(9-7-14)24-16(21-22-23-24)12-20-17(25)19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,19,20,25).
What are the key properties of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea?
1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea has a molecular weight of 356.82 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 18566057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).