1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea

C18H18FN5O — CID 56818885

IUPAC1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2cccnc2-n2ccnc2C)cc1F
InChIInChI=1S/C18H18FN5O/c1-12-5-6-15(10-16(12)19)23-18(25)22-11-14-4-3-7-21-17(14)24-9-8-20-13(24)2/h3-10H,11H2,1-2H3,(H2,22,23,25)
InChIKeyZGXULWNDBQFIRC-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.34
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea

1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea (PubChem CID 56818885) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
PubChem CID56818885
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2cccnc2-n2ccnc2C)cc1F
InChIInChI=1S/C18H18FN5O/c1-12-5-6-15(10-16(12)19)23-18(25)22-11-14-4-3-7-21-17(14)24-9-8-20-13(24)2/h3-10H,11H2,1-2H3,(H2,22,23,25)
InChIKeyZGXULWNDBQFIRC-UHFFFAOYSA-N
XLogP3.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290805
N-[2-methyl-5-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745163
1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
CID 138003231
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470
1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 138996652
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 94800208
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312314
(2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
CID 95278065
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 154749067

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea (CID 56818885) is 1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea is Cc1ccc(NC(=O)NCc2cccnc2-n2ccnc2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea?
The InChIKey is ZGXULWNDBQFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-12-5-6-15(10-16(12)19)23-18(25)22-11-14-4-3-7-21-17(14)24-9-8-20-13(24)2/h3-10H,11H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea has a molecular weight of 339.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 56818885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).