3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea

C19H20F2N4O — CID 134001610

IUPAC3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccc(F)cc1F)C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C19H20F2N4O/c1-24(12-14-7-8-15(20)11-16(14)21)19(26)22-9-4-10-25-13-23-17-5-2-3-6-18(17)25/h2-3,5-8,11,13H,4,9-10,12H2,1H3,(H,22,26)
InChIKeyDPONFFBLLGCCIA-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.55
Rot. Bonds6

About 3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea

3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea (PubChem CID 134001610) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea
PubChem CID134001610
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccc(F)cc1F)C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C19H20F2N4O/c1-24(12-14-7-8-15(20)11-16(14)21)19(26)22-9-4-10-25-13-23-17-5-2-3-6-18(17)25/h2-3,5-8,11,13H,4,9-10,12H2,1H3,(H,22,26)
InChIKeyDPONFFBLLGCCIA-UHFFFAOYSA-N
XLogP3.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(benzimidazol-1-yl)propyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 51274415
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
1-(benzimidazol-1-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 105085102
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55457371
1-[3-(benzimidazol-1-yl)propyl]-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 111901913
N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide
CID 51200722
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17419797
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea?
The IUPAC name of 3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea (CID 134001610) is 3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea is CN(Cc1ccc(F)cc1F)C(=O)NCCCn1cnc2ccccc21.
What is the InChIKey of 3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea?
The InChIKey is DPONFFBLLGCCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-24(12-14-7-8-15(20)11-16(14)21)19(26)22-9-4-10-25-13-23-17-5-2-3-6-18(17)25/h2-3,5-8,11,13H,4,9-10,12H2,1H3,(H,22,26).
What are the key properties of 3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea?
3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea has a molecular weight of 358.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 134001610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).