1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea

C17H18FN5O — CID 89467060

IUPAC1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(C3=CNCN3N)cc2)c1
InChIInChI=1S/C17H18FN5O/c1-11-2-7-14(18)15(8-11)22-17(24)21-13-5-3-12(4-6-13)16-9-20-10-23(16)19/h2-9,20H,10,19H2,1H3,(H2,21,22,24)
InChIKeyBXKZGYPZLLXYLR-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.81
Rot. Bonds3

About 1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea

1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 89467060) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
PubChem CID89467060
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(C3=CNCN3N)cc2)c1
InChIInChI=1S/C17H18FN5O/c1-11-2-7-14(18)15(8-11)22-17(24)21-13-5-3-12(4-6-13)16-9-20-10-23(16)19/h2-9,20H,10,19H2,1H3,(H2,21,22,24)
InChIKeyBXKZGYPZLLXYLR-UHFFFAOYSA-N
XLogP2.81
TPSA82.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 25135144
[6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-3-pyridinyl]boronic acid
CID 131735817
1-[4-(3-amino-7-fluoro-2,1-benzoxazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 69169305
1-(2-fluoro-5-methylphenyl)-3-[4-[3-(hydroxymethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]urea
CID 141360769
1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 43469069
1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 73295888
1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 18450937
6-[(2-fluoro-5-methylphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 140590676

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea (CID 89467060) is 1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)Nc2ccc(C3=CNCN3N)cc2)c1.
What is the InChIKey of 1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is BXKZGYPZLLXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-11-2-7-14(18)15(8-11)22-17(24)21-13-5-3-12(4-6-13)16-9-20-10-23(16)19/h2-9,20H,10,19H2,1H3,(H2,21,22,24).
What are the key properties of 1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 327.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1,2-dihydroimidazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 89467060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).