3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea

C12H14F2N4O — CID 110478751

IUPAC3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C12H14F2N4O/c1-18(2)12(19)15-6-5-9-16-8-4-3-7(13)10(14)11(8)17-9/h3-4H,5-6H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyVVKWQMGWVMNKOM-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.65
Rot. Bonds3

About 3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea

3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea (PubChem CID 110478751) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea
PubChem CID110478751
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C12H14F2N4O/c1-18(2)12(19)15-6-5-9-16-8-4-3-7(13)10(14)11(8)17-9/h3-4H,5-6H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyVVKWQMGWVMNKOM-UHFFFAOYSA-N
XLogP1.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 110477254
2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide
CID 167927042
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 112556455
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
CID 83857791
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
CID 112556656
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
2-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 107272709
5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide
CID 166280144
2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole
CID 115911936

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea (CID 110478751) is 3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCc1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of 3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea?
The InChIKey is VVKWQMGWVMNKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-18(2)12(19)15-6-5-9-16-8-4-3-7(13)10(14)11(8)17-9/h3-4H,5-6H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea?
3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea has a molecular weight of 268.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 110478751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).