1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea

C16H15FN4O — CID 894122

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
SMILESCc1nc2cc(NC(=O)Nc3cccc(F)c3)ccc2n1C
InChIInChI=1S/C16H15FN4O/c1-10-18-14-9-13(6-7-15(14)21(10)2)20-16(22)19-12-5-3-4-11(17)8-12/h3-9H,1-2H3,(H2,19,20,22)
InChIKeyARVNUBGNNACWMA-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.66
Rot. Bonds2

About 1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea

1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea (PubChem CID 894122) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
PubChem CID894122
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
SMILESCc1nc2cc(NC(=O)Nc3cccc(F)c3)ccc2n1C
InChIInChI=1S/C16H15FN4O/c1-10-18-14-9-13(6-7-15(14)21(10)2)20-16(22)19-12-5-3-4-11(17)8-12/h3-9H,1-2H3,(H2,19,20,22)
InChIKeyARVNUBGNNACWMA-UHFFFAOYSA-N
XLogP3.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765870
N-(1,2-dimethylbenzimidazol-5-yl)-1-methylindole-7-carboxamide
CID 112527602
2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110779237
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea
CID 9267921
2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea (CID 894122) is 1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea is Cc1nc2cc(NC(=O)Nc3cccc(F)c3)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea?
The InChIKey is ARVNUBGNNACWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-10-18-14-9-13(6-7-15(14)21(10)2)20-16(22)19-12-5-3-4-11(17)8-12/h3-9H,1-2H3,(H2,19,20,22).
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea?
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea has a molecular weight of 298.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 894122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).