1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea

C16H15ClN6O — CID 90589085

IUPAC1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccnc1-c1ncccn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN6O/c17-12-2-4-13(5-3-12)22-16(24)21-9-11-23-10-8-20-15(23)14-18-6-1-7-19-14/h1-8,10H,9,11H2,(H2,21,22,24)
InChIKeyNLTLSZNLYYSPNA-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea (PubChem CID 90589085) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
PubChem CID90589085
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
SMILESO=C(NCCn1ccnc1-c1ncccn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN6O/c17-12-2-4-13(5-3-12)22-16(24)21-9-11-23-10-8-20-15(23)14-18-6-1-7-19-14/h1-8,10H,9,11H2,(H2,21,22,24)
InChIKeyNLTLSZNLYYSPNA-UHFFFAOYSA-N
XLogP2.82
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71808259
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1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
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1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121120963
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
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1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 91628992
1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
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1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea (CID 90589085) is 1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea is O=C(NCCn1ccnc1-c1ncccn1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea?
The InChIKey is NLTLSZNLYYSPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c17-12-2-4-13(5-3-12)22-16(24)21-9-11-23-10-8-20-15(23)14-18-6-1-7-19-14/h1-8,10H,9,11H2,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea has a molecular weight of 342.79 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 90589085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).