1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea

C25H23Cl2N5O2 — CID 59387121

IUPAC1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea
SMILESCN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3cccc(Cl)c3)c2)N=C1N
InChIInChI=1S/C25H23Cl2N5O2/c1-25(22(33)32(2)23(28)31-25)17-6-3-5-15(11-17)21-13-19(27)10-9-16(21)14-29-24(34)30-20-8-4-7-18(26)12-20/h3-13H,14H2,1-2H3,(H2,28,31)(H2,29,30,34)
InChIKeyQNSILKBIDPWAML-UHFFFAOYSA-N
MW496.40 g/mol
LogP4.98
Rot. Bonds5

About 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea

1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea (PubChem CID 59387121) has the molecular formula C25H23Cl2N5O2 and a molecular weight of 496.40 g/mol. Its IUPAC name is 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea
PubChem CID59387121
Molecular FormulaC25H23Cl2N5O2
Molecular Weight496.40 g/mol
Exact Mass495.12
IUPAC Name1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea
SMILESCN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3cccc(Cl)c3)c2)N=C1N
InChIInChI=1S/C25H23Cl2N5O2/c1-25(22(33)32(2)23(28)31-25)17-6-3-5-15(11-17)21-13-19(27)10-9-16(21)14-29-24(34)30-20-8-4-7-18(26)12-20/h3-13H,14H2,1-2H3,(H2,28,31)(H2,29,30,34)
InChIKeyQNSILKBIDPWAML-UHFFFAOYSA-N
XLogP4.98
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.40
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea (CID 59387121) is 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea is CN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3cccc(Cl)c3)c2)N=C1N.
What is the InChIKey of 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea?
The InChIKey is QNSILKBIDPWAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O2/c1-25(22(33)32(2)23(28)31-25)17-6-3-5-15(11-17)21-13-19(27)10-9-16(21)14-29-24(34)30-20-8-4-7-18(26)12-20/h3-13H,14H2,1-2H3,(H2,28,31)(H2,29,30,34).
What are the key properties of 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea?
1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea has a molecular weight of 496.40 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 59387121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).