6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride

C12H17Cl2FN4O — CID 120829118

IUPAC6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl
InChIInChI=1S/C12H15FN4O.2ClH/c1-7(14-2)5-15-12(18)9-3-8(13)4-10-11(9)17-6-16-10;;/h3-4,6-7,14H,5H2,1-2H3,(H,15,18)(H,16,17);2*1H
InChIKeyKXYBIHACRIOSHU-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.88
Rot. Bonds4

About 6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride

6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride (PubChem CID 120829118) has the molecular formula C12H17Cl2FN4O and a molecular weight of 323.20 g/mol. Its IUPAC name is 6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
PubChem CID120829118
Molecular FormulaC12H17Cl2FN4O
Molecular Weight323.20 g/mol
Exact Mass322.08
IUPAC Name6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl
InChIInChI=1S/C12H15FN4O.2ClH/c1-7(14-2)5-15-12(18)9-3-8(13)4-10-11(9)17-6-16-10;;/h3-4,6-7,14H,5H2,1-2H3,(H,15,18)(H,16,17);2*1H
InChIKeyKXYBIHACRIOSHU-UHFFFAOYSA-N
XLogP1.88
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119525306
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 94800244
N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119585412
6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide
CID 122140907
6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide
CID 97228107
N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
CID 119597419
N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119664829
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 120890655
6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide
CID 111481122

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of 6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride (CID 120829118) is 6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl.
What is the InChIKey of 6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride?
The InChIKey is KXYBIHACRIOSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O.2ClH/c1-7(14-2)5-15-12(18)9-3-8(13)4-10-11(9)17-6-16-10;;/h3-4,6-7,14H,5H2,1-2H3,(H,15,18)(H,16,17);2*1H.
What are the key properties of 6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride?
6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride has a molecular weight of 323.20 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120829118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).