3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide

C13H17FN4O — CID 103294871

IUPAC3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H17FN4O/c1-2-6-15-12(19)5-7-16-13-17-10-4-3-9(14)8-11(10)18-13/h3-4,8H,2,5-7H2,1H3,(H,15,19)(H2,16,17,18)
InChIKeyIGBXBZIZXVEYTN-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.03
Rot. Bonds6

About 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide

3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide (PubChem CID 103294871) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
PubChem CID103294871
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H17FN4O/c1-2-6-15-12(19)5-7-16-13-17-10-4-3-9(14)8-11(10)18-13/h3-4,8H,2,5-7H2,1H3,(H,15,19)(H2,16,17,18)
InChIKeyIGBXBZIZXVEYTN-UHFFFAOYSA-N
XLogP2.03
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103295108
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide (CID 103294871) is 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide?
The InChIKey is IGBXBZIZXVEYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-2-6-15-12(19)5-7-16-13-17-10-4-3-9(14)8-11(10)18-13/h3-4,8H,2,5-7H2,1H3,(H,15,19)(H2,16,17,18).
What are the key properties of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide?
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide has a molecular weight of 264.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 103294871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).