1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea

C15H19ClN6O — CID 18566039

IUPAC1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C15H19ClN6O/c16-11-6-8-13(9-7-11)22-14(19-20-21-22)10-17-15(23)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,17,18,23)
InChIKeyZZKOSCZCFFKUEC-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.45
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea

1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea (PubChem CID 18566039) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea
PubChem CID18566039
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C15H19ClN6O/c16-11-6-8-13(9-7-11)22-14(19-20-21-22)10-17-15(23)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,17,18,23)
InChIKeyZZKOSCZCFFKUEC-UHFFFAOYSA-N
XLogP2.45
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea with MolForge

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Related Compounds

3-(4-chlorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 2316531
1-[1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-3-phenyl-urea
CID 647359
US11845767, Example 354
CID 170795452
1H-Tetrazole-5-acetamide, N-(4-chlorophenyl)-
CID 3054059
1-(3,4-dichlorophenyl)-3-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 16799331
1-(tert-butyl)-3-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 18566072
1-(2-chloroethyl)-3-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 18566108
2-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]-N-methylbutan-2-amine
CID 3378673
1-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]-N-methylcyclohexanamine
CID 4652321
1-[1-(3-chlorophenyl)-1H-tetraazol-5-yl]-N-ethylcyclohexanamine
CID 53297703
N-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]-N-ethylaniline
CID 5716477
(Z)-N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)-3-phenylacrylamide
CID 16799247

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea?
The IUPAC name of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea (CID 18566039) is 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea is O=C(NCc1nnnn1-c1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea?
The InChIKey is ZZKOSCZCFFKUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c16-11-6-8-13(9-7-11)22-14(19-20-21-22)10-17-15(23)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,17,18,23).
What are the key properties of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea?
1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-cyclohexylurea has a molecular weight of 334.81 g/mol, XLogP of 2.45, 4 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-cyclohexylurea is sourced from PubChem (CID 18566039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).