1-benzhydryl-1,3-dimethylurea

C16H18N2O — CID 47127259

IUPAC1-benzhydryl-1,3-dimethylurea
SMILESCNC(=O)N(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-17-16(19)18(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H,17,19)
InChIKeyDNIHLEIUJDPCPE-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.05
Rot. Bonds3

About 1-benzhydryl-1,3-dimethylurea

1-benzhydryl-1,3-dimethylurea (PubChem CID 47127259) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-benzhydryl-1,3-dimethylurea.

Molecular Properties

Compound Name1-benzhydryl-1,3-dimethylurea
PubChem CID47127259
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-benzhydryl-1,3-dimethylurea
SMILESCNC(=O)N(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-17-16(19)18(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H,17,19)
InChIKeyDNIHLEIUJDPCPE-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 72889
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N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
Cumyluron
CID 11709249
Benzylurea
CID 10853
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11840968
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-1,3-dimethylurea?
The IUPAC name of 1-benzhydryl-1,3-dimethylurea (CID 47127259) is 1-benzhydryl-1,3-dimethylurea.
What is the SMILES notation for 1-benzhydryl-1,3-dimethylurea?
The canonical SMILES for 1-benzhydryl-1,3-dimethylurea is CNC(=O)N(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-1,3-dimethylurea?
The InChIKey is DNIHLEIUJDPCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-16(19)18(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H,17,19).
What are the key properties of 1-benzhydryl-1,3-dimethylurea?
1-benzhydryl-1,3-dimethylurea has a molecular weight of 254.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-1,3-dimethylurea is sourced from PubChem (CID 47127259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).