1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea

C14H10F2N4O — CID 108886039

IUPAC1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc2nc[nH]c2c1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N4O/c15-8-1-3-11(10(16)5-8)20-14(21)19-9-2-4-12-13(6-9)18-7-17-12/h1-7H,(H,17,18)(H2,19,20,21)
InChIKeyZEOBNXHCPRICJC-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.49
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea

1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 108886039) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea
PubChem CID108886039
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc2nc[nH]c2c1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N4O/c15-8-1-3-11(10(16)5-8)20-14(21)19-9-2-4-12-13(6-9)18-7-17-12/h1-7H,(H,17,18)(H2,19,20,21)
InChIKeyZEOBNXHCPRICJC-UHFFFAOYSA-N
XLogP3.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 108885972
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
CID 108869161
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108885965
N-(3H-benzimidazol-5-yl)-2-fluorobenzamide
CID 110724315
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459
methyl 3-(3H-benzimidazol-5-ylcarbamoylamino)benzoate
CID 108886048

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea (CID 108886039) is 1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc2nc[nH]c2c1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is ZEOBNXHCPRICJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c15-8-1-3-11(10(16)5-8)20-14(21)19-9-2-4-12-13(6-9)18-7-17-12/h1-7H,(H,17,18)(H2,19,20,21).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea?
1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 288.26 g/mol, XLogP of 3.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 108886039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).