1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea

C18H22N4O — CID 174713516

IUPAC1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea
SMILESC1=NCCN1Cc1ccccc1.Cc1ccccc1NC(N)=O
InChIInChI=1S/C10H12N2.C8H10N2O/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;1-6-4-2-3-5-7(6)10-8(9)11/h1-5,9H,6-8H2;2-5H,1H3,(H3,9,10,11)
InChIKeyVNUFOCZHYIXWLX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.02
Rot. Bonds3

About 1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea

1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea (PubChem CID 174713516) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea
PubChem CID174713516
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea
SMILESC1=NCCN1Cc1ccccc1.Cc1ccccc1NC(N)=O
InChIInChI=1S/C10H12N2.C8H10N2O/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;1-6-4-2-3-5-7(6)10-8(9)11/h1-5,9H,6-8H2;2-5H,1H3,(H3,9,10,11)
InChIKeyVNUFOCZHYIXWLX-UHFFFAOYSA-N
XLogP3.02
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)urea;phosphane
CID 175888509
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CID 93490302
4-benzyl-N-(2-methylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071610
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
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(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7621499
1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)urea
CID 98109906
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-methylphenyl)urea
CID 71795030
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea?
The IUPAC name of 1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea (CID 174713516) is 1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea.
What is the SMILES notation for 1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea?
The canonical SMILES for 1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea is C1=NCCN1Cc1ccccc1.Cc1ccccc1NC(N)=O.
What is the InChIKey of 1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea?
The InChIKey is VNUFOCZHYIXWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C8H10N2O/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;1-6-4-2-3-5-7(6)10-8(9)11/h1-5,9H,6-8H2;2-5H,1H3,(H3,9,10,11).
What are the key properties of 1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea?
1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea is sourced from PubChem (CID 174713516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).