1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea

C19H22N6O3 — CID 47039527

IUPAC1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
SMILESCOCCOc1ccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1
InChIInChI=1S/C19H22N6O3/c1-14-3-6-16(25-13-21-23-24-25)11-18(14)22-19(26)20-12-15-4-7-17(8-5-15)28-10-9-27-2/h3-8,11,13H,9-10,12H2,1-2H3,(H2,20,22,26)
InChIKeyRJGVXRIVMHMDKR-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.32
Rot. Bonds8

About 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea

1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea (PubChem CID 47039527) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
PubChem CID47039527
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
SMILESCOCCOc1ccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1
InChIInChI=1S/C19H22N6O3/c1-14-3-6-16(25-13-21-23-24-25)11-18(14)22-19(26)20-12-15-4-7-17(8-5-15)28-10-9-27-2/h3-8,11,13H,9-10,12H2,1-2H3,(H2,20,22,26)
InChIKeyRJGVXRIVMHMDKR-UHFFFAOYSA-N
XLogP2.32
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea (CID 47039527) is 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea is COCCOc1ccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1.
What is the InChIKey of 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
The InChIKey is RJGVXRIVMHMDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-14-3-6-16(25-13-21-23-24-25)11-18(14)22-19(26)20-12-15-4-7-17(8-5-15)28-10-9-27-2/h3-8,11,13H,9-10,12H2,1-2H3,(H2,20,22,26).
What are the key properties of 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea has a molecular weight of 382.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 47039527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).