3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride

C11H15Cl2FN4O — CID 119885402

IUPAC3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C11H13FN4O.2ClH/c12-7-1-2-8-9(5-7)16-10(15-8)6-14-11(17)3-4-13;;/h1-2,5H,3-4,6,13H2,(H,14,17)(H,15,16);2*1H
InChIKeyXBUBKNOYYBHLAN-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride

3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride (PubChem CID 119885402) has the molecular formula C11H15Cl2FN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
PubChem CID119885402
Molecular FormulaC11H15Cl2FN4O
Molecular Weight309.17 g/mol
Exact Mass308.06
IUPAC Name3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C11H13FN4O.2ClH/c12-7-1-2-8-9(5-7)16-10(15-8)6-14-11(17)3-4-13;;/h1-2,5H,3-4,6,13H2,(H,14,17)(H,15,16);2*1H
InChIKeyXBUBKNOYYBHLAN-UHFFFAOYSA-N
XLogP1.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 77080225
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 71867281
(2S)-2-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119885407
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119885398
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide
CID 71985123

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride (CID 119885402) is 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)NCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride?
The InChIKey is XBUBKNOYYBHLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O.2ClH/c12-7-1-2-8-9(5-7)16-10(15-8)6-14-11(17)3-4-13;;/h1-2,5H,3-4,6,13H2,(H,14,17)(H,15,16);2*1H.
What are the key properties of 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride?
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride has a molecular weight of 309.17 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119885402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).