1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea

C11H11ClN4O — CID 22439180

IUPAC1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
SMILESO=C(NCc1ncc[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C11H11ClN4O/c12-8-3-1-2-4-9(8)16-11(17)15-7-10-13-5-6-14-10/h1-6H,7H2,(H,13,14)(H2,15,16,17)
InChIKeyUDFCGDNJPOEWIR-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.38
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea

1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea (PubChem CID 22439180) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
PubChem CID22439180
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
SMILESO=C(NCc1ncc[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C11H11ClN4O/c12-8-3-1-2-4-9(8)16-11(17)15-7-10-13-5-6-14-10/h1-6H,7H2,(H,13,14)(H2,15,16,17)
InChIKeyUDFCGDNJPOEWIR-UHFFFAOYSA-N
XLogP2.38
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(1H-imidazol-2-ylmethylcarbamoylamino)benzoic acid
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1-(1H-imidazol-2-ylmethyl)-3-[2-(3,4,5-trifluorophenyl)phenyl]urea
CID 75438861
1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea
CID 5122456
1-(1H-imidazol-2-ylmethyl)-3-(2H-tetrazol-5-yl)urea
CID 154364354
2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885
2-[4-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 64524531
1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea
CID 75389671
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
(2R)-2-amino-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
CID 64529573
2-[2-(1H-imidazol-2-ylmethylamino)-2-oxoethyl]benzoic acid
CID 104601596
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CID 75438864

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea (CID 22439180) is 1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea is O=C(NCc1ncc[nH]1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
The InChIKey is UDFCGDNJPOEWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-8-3-1-2-4-9(8)16-11(17)15-7-10-13-5-6-14-10/h1-6H,7H2,(H,13,14)(H2,15,16,17).
What are the key properties of 1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea has a molecular weight of 250.69 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea is sourced from PubChem (CID 22439180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).