3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide

C18H21N5O — CID 154781024

IUPAC3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C18H21N5O/c1-18(2,17(24)19-3)11-20-15-9-6-10-16(22-15)23-12-21-13-7-4-5-8-14(13)23/h4-10,12H,11H2,1-3H3,(H,19,24)(H,20,22)
InChIKeySKLGRRMPHGDUDL-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.60
Rot. Bonds5

About 3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide

3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 154781024) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
PubChem CID154781024
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C18H21N5O/c1-18(2,17(24)19-3)11-20-15-9-6-10-16(22-15)23-12-21-13-7-4-5-8-14(13)23/h4-10,12H,11H2,1-3H3,(H,19,24)(H,20,22)
InChIKeySKLGRRMPHGDUDL-UHFFFAOYSA-N
XLogP2.60
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 129086038
N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 103917265
tert-butyl (3S,4R)-3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-4-phenylpyrrolidine-1-carboxylate
CID 154810664
1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone
CID 21020290
3-[(5-tert-butyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106278300
2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 166257160
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine
CID 167784315
3-[(6-hydrazinylpyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106280881
1-(2-tert-butyl-6-chloropyrimidin-4-yl)benzimidazole
CID 80951246

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide (CID 154781024) is 3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1cccc(-n2cnc3ccccc32)n1.
What is the InChIKey of 3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is SKLGRRMPHGDUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-18(2,17(24)19-3)11-20-15-9-6-10-16(22-15)23-12-21-13-7-4-5-8-14(13)23/h4-10,12H,11H2,1-3H3,(H,19,24)(H,20,22).
What are the key properties of 3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 154781024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).