1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea

C17H16N4O — CID 110748436

IUPAC1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C17H16N4O/c22-17(20-12-13-4-2-1-3-5-13)21-15-8-6-14(7-9-15)16-18-10-11-19-16/h1-11H,12H2,(H,18,19)(H2,20,21,22)
InChIKeyUBYKNKASURHXFX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.40
Rot. Bonds4

About 1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea

1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea (PubChem CID 110748436) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea
PubChem CID110748436
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C17H16N4O/c22-17(20-12-13-4-2-1-3-5-13)21-15-8-6-14(7-9-15)16-18-10-11-19-16/h1-11H,12H2,(H,18,19)(H2,20,21,22)
InChIKeyUBYKNKASURHXFX-UHFFFAOYSA-N
XLogP3.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid
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2-[4-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]acetic acid
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N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
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1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
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N-[4-(1H-imidazol-2-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60613296
1-benzyl-3-(6-bromo-3-pyridinyl)urea
CID 110605118
3-[4-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]propanoic acid
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1-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea (CID 110748436) is 1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea is O=C(NCc1ccccc1)Nc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea?
The InChIKey is UBYKNKASURHXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(20-12-13-4-2-1-3-5-13)21-15-8-6-14(7-9-15)16-18-10-11-19-16/h1-11H,12H2,(H,18,19)(H2,20,21,22).
What are the key properties of 1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea?
1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea has a molecular weight of 292.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea is sourced from PubChem (CID 110748436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).