1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea

C23H25ClN4O3 — CID 52934165

IUPAC1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea
SMILESO=C(Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)c(Cl)c1)NC1CCOCC1
InChIInChI=1S/C23H25ClN4O3/c24-20-13-18(28-23(29)27-17-8-10-30-11-9-17)6-5-16(20)7-12-31-22-4-2-1-3-19(22)21-14-25-15-26-21/h1-6,13-15,17H,7-12H2,(H,25,26)(H2,27,28,29)
InChIKeyBWIFFABIGNPDRG-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.65
Rot. Bonds7

About 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea

1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea (PubChem CID 52934165) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea
PubChem CID52934165
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea
SMILESO=C(Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)c(Cl)c1)NC1CCOCC1
InChIInChI=1S/C23H25ClN4O3/c24-20-13-18(28-23(29)27-17-8-10-30-11-9-17)6-5-16(20)7-12-31-22-4-2-1-3-19(22)21-14-25-15-26-21/h1-6,13-15,17H,7-12H2,(H,25,26)(H2,27,28,29)
InChIKeyBWIFFABIGNPDRG-UHFFFAOYSA-N
XLogP4.65
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide
CID 52934396
1-hydroxy-3-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-1-(oxan-4-yl)urea
CID 86673016
1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]piperidine-2-carboxamide
CID 122583375
2-chloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 61399256
1-(oxepan-4-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 136520743
1-[2-[4-(2-amino-5-chloro-3-pyridinyl)phenoxy]pyrimidin-5-yl]-3-(oxan-4-yl)urea
CID 118596896
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471
1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
CID 115759514
1-[(2E,4Z)-3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]hepta-2,4,6-trienyl]-3-phenylurea
CID 122592465
1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea
CID 86776784
4-[[3-chloro-4-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077420
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea (CID 52934165) is 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea is O=C(Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)c(Cl)c1)NC1CCOCC1.
What is the InChIKey of 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea?
The InChIKey is BWIFFABIGNPDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-20-13-18(28-23(29)27-17-8-10-30-11-9-17)6-5-16(20)7-12-31-22-4-2-1-3-19(22)21-14-25-15-26-21/h1-6,13-15,17H,7-12H2,(H,25,26)(H2,27,28,29).
What are the key properties of 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea?
1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea has a molecular weight of 440.93 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 52934165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).