1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea

C18H24ClFN4O2 — CID 42819154

IUPAC1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea
SMILESCOCCN(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)NC(C)C
InChIInChI=1S/C18H24ClFN4O2/c1-13(2)22-18(25)24(9-10-26-3)12-17-21-7-8-23(17)11-14-15(19)5-4-6-16(14)20/h4-8,13H,9-12H2,1-3H3,(H,22,25)
InChIKeyOMFYPZKZBTWVAX-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.29
Rot. Bonds8

About 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea

1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea (PubChem CID 42819154) has the molecular formula C18H24ClFN4O2 and a molecular weight of 382.87 g/mol. Its IUPAC name is 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea
PubChem CID42819154
Molecular FormulaC18H24ClFN4O2
Molecular Weight382.87 g/mol
Exact Mass382.16
IUPAC Name1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea
SMILESCOCCN(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)NC(C)C
InChIInChI=1S/C18H24ClFN4O2/c1-13(2)22-18(25)24(9-10-26-3)12-17-21-7-8-23(17)11-14-15(19)5-4-6-16(14)20/h4-8,13H,9-12H2,1-3H3,(H,22,25)
InChIKeyOMFYPZKZBTWVAX-UHFFFAOYSA-N
XLogP3.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea?
The IUPAC name of 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea (CID 42819154) is 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea is COCCN(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)NC(C)C.
What is the InChIKey of 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea?
The InChIKey is OMFYPZKZBTWVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN4O2/c1-13(2)22-18(25)24(9-10-26-3)12-17-21-7-8-23(17)11-14-15(19)5-4-6-16(14)20/h4-8,13H,9-12H2,1-3H3,(H,22,25).
What are the key properties of 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea?
1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea has a molecular weight of 382.87 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea is sourced from PubChem (CID 42819154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).