N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride

C20H25Cl2FN4O — CID 119890958

IUPACN-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C.Cl.Cl
InChIInChI=1S/C20H23FN4O.2ClH/c1-13-11-14(6-8-16(13)23-19(26)5-4-10-22-2)20-24-17-12-15(21)7-9-18(17)25(20)3;;/h6-9,11-12,22H,4-5,10H2,1-3H3,(H,23,26);2*1H
InChIKeyUAKWLSKFGISGBL-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.47
Rot. Bonds6

About N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride

N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119890958) has the molecular formula C20H25Cl2FN4O and a molecular weight of 427.35 g/mol. Its IUPAC name is N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119890958
Molecular FormulaC20H25Cl2FN4O
Molecular Weight427.35 g/mol
Exact Mass426.14
IUPAC NameN-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C.Cl.Cl
InChIInChI=1S/C20H23FN4O.2ClH/c1-13-11-14(6-8-16(13)23-19(26)5-4-10-22-2)20-24-17-12-15(21)7-9-18(17)25(20)3;;/h6-9,11-12,22H,4-5,10H2,1-3H3,(H,23,26);2*1H
InChIKeyUAKWLSKFGISGBL-UHFFFAOYSA-N
XLogP4.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-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

2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide
CID 166427691
3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride
CID 119900909
3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide
CID 119900910
4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
CID 120565984
2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800893
3-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119890966
2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide
CID 120800894
(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide
CID 119891049
2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
CID 119891017
N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119891004
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide
CID 119342267
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride (CID 119890958) is N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C.Cl.Cl.
What is the InChIKey of N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is UAKWLSKFGISGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O.2ClH/c1-13-11-14(6-8-16(13)23-19(26)5-4-10-22-2)20-24-17-12-15(21)7-9-18(17)25(20)3;;/h6-9,11-12,22H,4-5,10H2,1-3H3,(H,23,26);2*1H.
What are the key properties of N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride?
N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 427.35 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119890958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).