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

C14H21Cl2FN4O — CID 119898334

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCCc1nc2ccc(F)cc2[nH]1.Cl.Cl
InChIInChI=1S/C14H19FN4O.2ClH/c1-16-7-2-3-14(20)17-8-6-13-18-11-5-4-10(15)9-12(11)19-13;;/h4-5,9,16H,2-3,6-8H2,1H3,(H,17,20)(H,18,19);2*1H
InChIKeyLUWHEQMKKDCLQQ-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.20
Rot. Bonds7

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

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119898334) has the molecular formula C14H21Cl2FN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119898334
Molecular FormulaC14H21Cl2FN4O
Molecular Weight351.25 g/mol
Exact Mass350.11
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCCc1nc2ccc(F)cc2[nH]1.Cl.Cl
InChIInChI=1S/C14H19FN4O.2ClH/c1-16-7-2-3-14(20)17-8-6-13-18-11-5-4-10(15)9-12(11)19-13;;/h4-5,9,16H,2-3,6-8H2,1H3,(H,17,20)(H,18,19);2*1H
InChIKeyLUWHEQMKKDCLQQ-UHFFFAOYSA-N
XLogP2.20
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-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-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 84560321
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
2-(4-bromo-3-methylphenoxy)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 59018394
2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90650123
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride (CID 119898334) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)NCCc1nc2ccc(F)cc2[nH]1.Cl.Cl.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is LUWHEQMKKDCLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O.2ClH/c1-16-7-2-3-14(20)17-8-6-13-18-11-5-4-10(15)9-12(11)19-13;;/h4-5,9,16H,2-3,6-8H2,1H3,(H,17,20)(H,18,19);2*1H.
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 351.25 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119898334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).