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

C19H19FN4O2 — CID 86988568

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
SMILESCOc1cc(F)ccc1NC(=O)NCc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C19H19FN4O2/c1-26-18-10-16(20)5-6-17(18)23-19(25)22-11-14-3-2-4-15(9-14)12-24-8-7-21-13-24/h2-10,13H,11-12H2,1H3,(H2,22,23,25)
InChIKeyUHNGXZRKYBMXFY-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.40
Rot. Bonds6

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

1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 86988568) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID86988568
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
SMILESCOc1cc(F)ccc1NC(=O)NCc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C19H19FN4O2/c1-26-18-10-16(20)5-6-17(18)23-19(25)22-11-14-3-2-4-15(9-14)12-24-8-7-21-13-24/h2-10,13H,11-12H2,1H3,(H2,22,23,25)
InChIKeyUHNGXZRKYBMXFY-UHFFFAOYSA-N
XLogP3.40
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 86987887
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
1-[(2-fluorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 38273983
trans-(1S,2S)-2-(4-fluorophenyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 94144410
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[3-(methylsulfonylmethyl)phenyl]urea
CID 86871548
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480
2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55601134
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347
2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111051479
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 86988561
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea (CID 86988568) is 1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea is COc1cc(F)ccc1NC(=O)NCc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is UHNGXZRKYBMXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-26-18-10-16(20)5-6-17(18)23-19(25)22-11-14-3-2-4-15(9-14)12-24-8-7-21-13-24/h2-10,13H,11-12H2,1H3,(H2,22,23,25).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea?
1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 354.39 g/mol, XLogP of 3.40, 6 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-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 86988568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).