1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea

C22H20N6O — CID 166399943

IUPAC1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea
SMILESCc1cc(-c2ccccc2)ccc1NC(=O)Nc1cccc(Cc2nn[nH]n2)c1
InChIInChI=1S/C22H20N6O/c1-15-12-18(17-7-3-2-4-8-17)10-11-20(15)24-22(29)23-19-9-5-6-16(13-19)14-21-25-27-28-26-21/h2-13H,14H2,1H3,(H2,23,24,29)(H,25,26,27,28)
InChIKeyFKUSVILEFICLIP-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.41
Rot. Bonds5

About 1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea

1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea (PubChem CID 166399943) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea
PubChem CID166399943
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea
SMILESCc1cc(-c2ccccc2)ccc1NC(=O)Nc1cccc(Cc2nn[nH]n2)c1
InChIInChI=1S/C22H20N6O/c1-15-12-18(17-7-3-2-4-8-17)10-11-20(15)24-22(29)23-19-9-5-6-16(13-19)14-21-25-27-28-26-21/h2-13H,14H2,1H3,(H2,23,24,29)(H,25,26,27,28)
InChIKeyFKUSVILEFICLIP-UHFFFAOYSA-N
XLogP4.41
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea?
The IUPAC name of 1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea (CID 166399943) is 1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea is Cc1cc(-c2ccccc2)ccc1NC(=O)Nc1cccc(Cc2nn[nH]n2)c1.
What is the InChIKey of 1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea?
The InChIKey is FKUSVILEFICLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-15-12-18(17-7-3-2-4-8-17)10-11-20(15)24-22(29)23-19-9-5-6-16(13-19)14-21-25-27-28-26-21/h2-13H,14H2,1H3,(H2,23,24,29)(H,25,26,27,28).
What are the key properties of 1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea?
1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea has a molecular weight of 384.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-phenylphenyl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea is sourced from PubChem (CID 166399943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).