benzylurea

C8H10N2O — CID 10853

IUPACbenzylurea
SMILESNC(=O)NCc1ccccc1
InChIInChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
InChIKeyRJNJWHFSKNJCTB-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.85
Rot. Bonds2

About benzylurea

benzylurea (PubChem CID 10853) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is benzylurea.

Molecular Properties

Compound Namebenzylurea
PubChem CID10853
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Namebenzylurea
SMILESNC(=O)NCc1ccccc1
InChIInChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
InChIKeyRJNJWHFSKNJCTB-UHFFFAOYSA-N
XLogP0.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylbenzylamine
CID 7669
N-Benzylformamide
CID 80654
Urea, N,N'-bis(phenylmethyl)-
CID 72889
N-(Phenylmethyl)thiourea
CID 737375
Lozilurea
CID 68907
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-Benzylacetamide
CID 11500
Formamide, N-(2-phenylethyl)-
CID 140995
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389

Frequently Asked Questions

What is the IUPAC name of benzylurea?
The IUPAC name of benzylurea (CID 10853) is benzylurea.
What is the SMILES notation for benzylurea?
The canonical SMILES for benzylurea is NC(=O)NCc1ccccc1.
What is the InChIKey of benzylurea?
The InChIKey is RJNJWHFSKNJCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11).
What are the key properties of benzylurea?
benzylurea has a molecular weight of 150.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylurea is sourced from PubChem (CID 10853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).