1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea

C28H22ClN5O2 — CID 11518884

IUPAC1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea
SMILESO=C(Nc1cccc(Cn2ccnc2-c2ccncc2)c1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C28H22ClN5O2/c29-22-9-10-26(36-24-7-2-1-3-8-24)25(18-22)33-28(35)32-23-6-4-5-20(17-23)19-34-16-15-31-27(34)21-11-13-30-14-12-21/h1-18H,19H2,(H2,32,33,35)
InChIKeyJPRLCOBTENRVNU-UHFFFAOYSA-N
MW495.97 g/mol
LogP7.08
Rot. Bonds7

About 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea

1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea (PubChem CID 11518884) has the molecular formula C28H22ClN5O2 and a molecular weight of 495.97 g/mol. Its IUPAC name is 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea
PubChem CID11518884
Molecular FormulaC28H22ClN5O2
Molecular Weight495.97 g/mol
Exact Mass495.15
IUPAC Name1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea
SMILESO=C(Nc1cccc(Cn2ccnc2-c2ccncc2)c1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C28H22ClN5O2/c29-22-9-10-26(36-24-7-2-1-3-8-24)25(18-22)33-28(35)32-23-6-4-5-20(17-23)19-34-16-15-31-27(34)21-11-13-30-14-12-21/h1-18H,19H2,(H2,32,33,35)
InChIKeyJPRLCOBTENRVNU-UHFFFAOYSA-N
XLogP7.08
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.97
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea with MolForge

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Related Compounds

1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 11533136
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CID 143262080
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
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3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578
N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
CID 82559363
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-4-ylmethyl)indol-5-yl]urea
CID 58703422
1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
CID 58703424
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558960
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea (CID 11518884) is 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea is O=C(Nc1cccc(Cn2ccnc2-c2ccncc2)c1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea?
The InChIKey is JPRLCOBTENRVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN5O2/c29-22-9-10-26(36-24-7-2-1-3-8-24)25(18-22)33-28(35)32-23-6-4-5-20(17-23)19-34-16-15-31-27(34)21-11-13-30-14-12-21/h1-18H,19H2,(H2,32,33,35).
What are the key properties of 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea?
1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea has a molecular weight of 495.97 g/mol, XLogP of 7.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 11518884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).