1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea

C22H21ClN6O2 — CID 69369107

IUPAC1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
SMILESCn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCc1ncc[nH]1
InChIInChI=1S/C22H21ClN6O2/c1-29-19(8-10-26-29)18-14-17(28-22(30)27-16-4-2-15(23)3-5-16)6-7-20(18)31-13-9-21-24-11-12-25-21/h2-8,10-12,14H,9,13H2,1H3,(H,24,25)(H2,27,28,30)
InChIKeyTZGXYZHYALHTFX-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.73
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea

1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea (PubChem CID 69369107) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
PubChem CID69369107
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
SMILESCn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCc1ncc[nH]1
InChIInChI=1S/C22H21ClN6O2/c1-29-19(8-10-26-29)18-14-17(28-22(30)27-16-4-2-15(23)3-5-16)6-7-20(18)31-13-9-21-24-11-12-25-21/h2-8,10-12,14H,9,13H2,1H3,(H,24,25)(H2,27,28,30)
InChIKeyTZGXYZHYALHTFX-UHFFFAOYSA-N
XLogP4.73
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 45486729
1-(3,4-difluorophenyl)-3-[4-[3-(dimethylamino)propoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 23139509
ethane;methyl 2-[4-[2-[4-[(4-chlorophenyl)carbamoylamino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazin-1-yl]acetate
CID 143232372
1-(4-chlorophenyl)-3-[4-[2-(4-ethylmorpholin-4-ium-4-yl)propoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 69387795
1-(4-fluorophenyl)-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 66927888
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyridin-4-ylethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 11548218
1-(2-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486654
1-[4-[[(3R)-4-benzylmorpholin-3-yl]methoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(4-chlorophenyl)urea
CID 66928507
1-(4-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]urea
CID 66928082
(2R,4R)-4-[4-[(4-chlorophenyl)carbamoylamino]-2-(2-methylpyrazol-3-yl)phenoxy]pyrrolidine-1,2-dicarboxylic acid
CID 90760892
2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68850357
1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide
CID 66927818

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea (CID 69369107) is 1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea is Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCc1ncc[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea?
The InChIKey is TZGXYZHYALHTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-29-19(8-10-26-29)18-14-17(28-22(30)27-16-4-2-15(23)3-5-16)6-7-20(18)31-13-9-21-24-11-12-25-21/h2-8,10-12,14H,9,13H2,1H3,(H,24,25)(H2,27,28,30).
What are the key properties of 1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea has a molecular weight of 436.90 g/mol, XLogP of 4.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea is sourced from PubChem (CID 69369107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).