1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea

C17H14F2N4O — CID 171697953

IUPAC1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N4O/c18-15-6-3-13(9-16(15)19)22-17(24)21-10-12-1-4-14(5-2-12)23-8-7-20-11-23/h1-9,11H,10H2,(H2,21,22,24)
InChIKeyOTLHFJONRAXYHG-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.47
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea

1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea (PubChem CID 171697953) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
PubChem CID171697953
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N4O/c18-15-6-3-13(9-16(15)19)22-17(24)21-10-12-1-4-14(5-2-12)23-8-7-20-11-23/h1-9,11H,10H2,(H2,21,22,24)
InChIKeyOTLHFJONRAXYHG-UHFFFAOYSA-N
XLogP3.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 50847572
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 110908208
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CID 111618688
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CID 61196451
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea
CID 154857737
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 95279011
1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 86850595
1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 24855667
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
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CID 47194938

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea (CID 171697953) is 1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea is O=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The InChIKey is OTLHFJONRAXYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-15-6-3-13(9-16(15)19)22-17(24)21-10-12-1-4-14(5-2-12)23-8-7-20-11-23/h1-9,11H,10H2,(H2,21,22,24).
What are the key properties of 1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea has a molecular weight of 328.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 171697953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).