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

C13H15ClN4O — CID 110473515

IUPAC1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)c1nccn1C
InChIInChI=1S/C13H15ClN4O/c1-9(12-15-6-7-18(12)2)16-13(19)17-11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H2,16,17,19)
InChIKeyMZNRRZYRVJXDOY-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.96
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea (PubChem CID 110473515) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
PubChem CID110473515
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)c1nccn1C
InChIInChI=1S/C13H15ClN4O/c1-9(12-15-6-7-18(12)2)16-13(19)17-11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H2,16,17,19)
InChIKeyMZNRRZYRVJXDOY-UHFFFAOYSA-N
XLogP2.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430449
1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41036758
1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17492515
1-(3-chlorophenyl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 174222164
1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 41083408
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
1-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-3-(3-nitrophenyl)urea
CID 42962122
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17181664
1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
CID 60736658
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea
CID 110492612

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea (CID 110473515) is 1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea is CC(NC(=O)Nc1cccc(Cl)c1)c1nccn1C.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea?
The InChIKey is MZNRRZYRVJXDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9(12-15-6-7-18(12)2)16-13(19)17-11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea has a molecular weight of 278.74 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 110473515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).