3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide

C13H16F2N4O — CID 166390713

IUPAC3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
SMILESCN(C)CC(F)(F)C(=O)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C13H16F2N4O/c1-18(2)7-13(14,15)12(20)17-9-4-5-11-10(6-9)16-8-19(11)3/h4-6,8H,7H2,1-3H3,(H,17,20)
InChIKeyUVIVCDOYRCNKNK-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.71
Rot. Bonds4

About 3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide

3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide (PubChem CID 166390713) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
PubChem CID166390713
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
SMILESCN(C)CC(F)(F)C(=O)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C13H16F2N4O/c1-18(2)7-13(14,15)12(20)17-9-4-5-11-10(6-9)16-8-19(11)3/h4-6,8H,7H2,1-3H3,(H,17,20)
InChIKeyUVIVCDOYRCNKNK-UHFFFAOYSA-N
XLogP1.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-methyl-N-(1-methylbenzimidazol-5-yl)thiophene-2-carboxamide
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1-(1-methylbenzimidazol-5-yl)ethanone
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CID 116838287
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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide?
The IUPAC name of 3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide (CID 166390713) is 3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide is CN(C)CC(F)(F)C(=O)Nc1ccc2c(c1)ncn2C.
What is the InChIKey of 3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide?
The InChIKey is UVIVCDOYRCNKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-18(2)7-13(14,15)12(20)17-9-4-5-11-10(6-9)16-8-19(11)3/h4-6,8H,7H2,1-3H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide?
3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide has a molecular weight of 282.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide is sourced from PubChem (CID 166390713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).