1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea

C16H16N6O — CID 118723280

IUPAC1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H16N6O/c23-16(17-11-10-12-4-2-1-3-5-12)18-14-8-6-13(7-9-14)15-19-21-22-20-15/h1-9H,10-11H2,(H2,17,18,23)(H,19,20,21,22)
InChIKeyQXFGJZCUGCGXOK-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea

1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea (PubChem CID 118723280) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea
PubChem CID118723280
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H16N6O/c23-16(17-11-10-12-4-2-1-3-5-12)18-14-8-6-13(7-9-14)15-19-21-22-20-15/h1-9H,10-11H2,(H2,17,18,23)(H,19,20,21,22)
InChIKeyQXFGJZCUGCGXOK-UHFFFAOYSA-N
XLogP2.23
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(4-methylphenyl)urea
CID 90718185
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
N-Phenyl-N'-(4-(2H-tetrazol-5-yl)phenyl)urea
CID 23540920
1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-[4-(1H-tetrazol-5-yl)-phenyl]-urea
CID 44376112
1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-[4-(1H-tetrazol-5-yl)-phenyl]-urea
CID 44376191
1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-methyl-3-(4-methylphenyl)urea
CID 145967348
3-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-methyl-1-(4-methylphenyl)urea
CID 145973699
1-cycloheptyl-1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10717610
N-benzyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872773
2-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethylurea
CID 135372057
4-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one
CID 135372271

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea (CID 118723280) is 1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea is O=C(NCCc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea?
The InChIKey is QXFGJZCUGCGXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(17-11-10-12-4-2-1-3-5-12)18-14-8-6-13(7-9-14)15-19-21-22-20-15/h1-9H,10-11H2,(H2,17,18,23)(H,19,20,21,22).
What are the key properties of 1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea?
1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea has a molecular weight of 308.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 118723280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).