1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea

C15H13ClN6O — CID 71789920

IUPAC1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
SMILESCc1nccn1-c1ncc(NC(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C15H13ClN6O/c1-10-17-6-7-22(10)14-18-8-11(9-19-14)20-15(23)21-13-5-3-2-4-12(13)16/h2-9H,1H3,(H2,20,21,23)
InChIKeyHUCBUXKYDQRKOW-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.27
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea

1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea (PubChem CID 71789920) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
PubChem CID71789920
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
SMILESCc1nccn1-c1ncc(NC(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C15H13ClN6O/c1-10-17-6-7-22(10)14-18-8-11(9-19-14)20-15(23)21-13-5-3-2-4-12(13)16/h2-9H,1H3,(H2,20,21,23)
InChIKeyHUCBUXKYDQRKOW-UHFFFAOYSA-N
XLogP3.27
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
CID 121112797
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide
CID 121112648
4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301151
2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112630
4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 122301120
1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 71799863
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301072
2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301003
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
1-(2,4-dimethoxyphenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565145
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea (CID 71789920) is 1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea is Cc1nccn1-c1ncc(NC(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea?
The InChIKey is HUCBUXKYDQRKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O/c1-10-17-6-7-22(10)14-18-8-11(9-19-14)20-15(23)21-13-5-3-2-4-12(13)16/h2-9H,1H3,(H2,20,21,23).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea?
1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea has a molecular weight of 328.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea is sourced from PubChem (CID 71789920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).