1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea

C12H13ClN4O3 — CID 54354899

IUPAC1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea
SMILESCOc1c(O)nc(NC(=O)Nc2cccc(Cl)c2)n1C
InChIInChI=1S/C12H13ClN4O3/c1-17-10(20-2)9(18)15-11(17)16-12(19)14-8-5-3-4-7(13)6-8/h3-6,18H,1-2H3,(H2,14,15,16,19)
InChIKeyUIKZHWCXRXZZMJ-UHFFFAOYSA-N
MW296.71 g/mol
LogP2.43
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea

1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea (PubChem CID 54354899) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea
PubChem CID54354899
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Name1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea
SMILESCOc1c(O)nc(NC(=O)Nc2cccc(Cl)c2)n1C
InChIInChI=1S/C12H13ClN4O3/c1-17-10(20-2)9(18)15-11(17)16-12(19)14-8-5-3-4-7(13)6-8/h3-6,18H,1-2H3,(H2,14,15,16,19)
InChIKeyUIKZHWCXRXZZMJ-UHFFFAOYSA-N
XLogP2.43
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 727874
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CID 47363703
methyl N-(3-chlorophenyl)carbamate
CID 16529
1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
CID 22577951
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1-(3-chlorophenyl)-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081073
1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea
CID 122319316
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
CID 4193262

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea (CID 54354899) is 1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea is COc1c(O)nc(NC(=O)Nc2cccc(Cl)c2)n1C.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea?
The InChIKey is UIKZHWCXRXZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c1-17-10(20-2)9(18)15-11(17)16-12(19)14-8-5-3-4-7(13)6-8/h3-6,18H,1-2H3,(H2,14,15,16,19).
What are the key properties of 1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea?
1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea has a molecular weight of 296.71 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea is sourced from PubChem (CID 54354899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).