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

C26H32ClN5O2 — CID 59386785

IUPAC1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea
SMILESCN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CCNC(=O)NC3CCCCC3)c2)N=C1N
InChIInChI=1S/C26H32ClN5O2/c1-26(23(33)32(2)24(28)31-26)19-8-6-7-18(15-19)22-16-20(27)12-11-17(22)13-14-29-25(34)30-21-9-4-3-5-10-21/h6-8,11-12,15-16,21H,3-5,9-10,13-14H2,1-2H3,(H2,28,31)(H2,29,30,34)
InChIKeyGIJCNPYYVSNIBK-UHFFFAOYSA-N
MW482.03 g/mol
LogP4.18
Rot. Bonds6

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

1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea (PubChem CID 59386785) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea
PubChem CID59386785
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC Name1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea
SMILESCN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CCNC(=O)NC3CCCCC3)c2)N=C1N
InChIInChI=1S/C26H32ClN5O2/c1-26(23(33)32(2)24(28)31-26)19-8-6-7-18(15-19)22-16-20(27)12-11-17(22)13-14-29-25(34)30-21-9-4-3-5-10-21/h6-8,11-12,15-16,21H,3-5,9-10,13-14H2,1-2H3,(H2,28,31)(H2,29,30,34)
InChIKeyGIJCNPYYVSNIBK-UHFFFAOYSA-N
XLogP4.18
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea (CID 59386785) is 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea is CN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CCNC(=O)NC3CCCCC3)c2)N=C1N.
What is the InChIKey of 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea?
The InChIKey is GIJCNPYYVSNIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O2/c1-26(23(33)32(2)24(28)31-26)19-8-6-7-18(15-19)22-16-20(27)12-11-17(22)13-14-29-25(34)30-21-9-4-3-5-10-21/h6-8,11-12,15-16,21H,3-5,9-10,13-14H2,1-2H3,(H2,28,31)(H2,29,30,34).
What are the key properties of 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea?
1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea has a molecular weight of 482.03 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea is sourced from PubChem (CID 59386785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).