N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride

C13H19Cl2FN4O — CID 119885358

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCc1nc2ccc(F)cc2[nH]1.Cl.Cl
InChIInChI=1S/C13H17FN4O.2ClH/c1-15-6-2-3-13(19)16-8-12-17-10-5-4-9(14)7-11(10)18-12;;/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,19)(H,17,18);2*1H
InChIKeyJSVRMDQEQAWUAJ-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.16
Rot. Bonds6

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119885358) has the molecular formula C13H19Cl2FN4O and a molecular weight of 337.23 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119885358
Molecular FormulaC13H19Cl2FN4O
Molecular Weight337.23 g/mol
Exact Mass336.09
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCc1nc2ccc(F)cc2[nH]1.Cl.Cl
InChIInChI=1S/C13H17FN4O.2ClH/c1-15-6-2-3-13(19)16-8-12-17-10-5-4-9(14)7-11(10)18-12;;/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,19)(H,17,18);2*1H
InChIKeyJSVRMDQEQAWUAJ-UHFFFAOYSA-N
XLogP2.16
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 77080225
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
(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
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide
CID 77083004

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride (CID 119885358) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)NCc1nc2ccc(F)cc2[nH]1.Cl.Cl.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is JSVRMDQEQAWUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O.2ClH/c1-15-6-2-3-13(19)16-8-12-17-10-5-4-9(14)7-11(10)18-12;;/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,19)(H,17,18);2*1H.
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 337.23 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119885358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).