1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea

C18H17FN4O2 — CID 136578950

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
SMILESCOc1cc(F)ccc1NC(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C18H17FN4O2/c1-25-17-10-14(19)6-7-15(17)22-18(24)21-11-13-4-2-3-5-16(13)23-9-8-20-12-23/h2-10,12H,11H2,1H3,(H2,21,22,24)
InChIKeyUGBYNDOVDRVGHQ-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.34
Rot. Bonds5

About 1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea

1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea (PubChem CID 136578950) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
PubChem CID136578950
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
SMILESCOc1cc(F)ccc1NC(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C18H17FN4O2/c1-25-17-10-14(19)6-7-15(17)22-18(24)21-11-13-4-2-3-5-16(13)23-9-8-20-12-23/h2-10,12H,11H2,1H3,(H2,21,22,24)
InChIKeyUGBYNDOVDRVGHQ-UHFFFAOYSA-N
XLogP3.34
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
CID 71970578
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 86988568
methyl N-[4-[[(2-imidazol-1-ylphenyl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86838396
N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 92671810
1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea
CID 12911664
1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 24855667
(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 92686153
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111074361
(2R)-2-(2-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 92685089

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea (CID 136578950) is 1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea is COc1cc(F)ccc1NC(=O)NCc1ccccc1-n1ccnc1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea?
The InChIKey is UGBYNDOVDRVGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-25-17-10-14(19)6-7-15(17)22-18(24)21-11-13-4-2-3-5-16(13)23-9-8-20-12-23/h2-10,12H,11H2,1H3,(H2,21,22,24).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea?
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea has a molecular weight of 340.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 136578950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).