3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride

C20H25Cl2FN4O — CID 119900909

IUPAC3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride
SMILESCc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)CCN.Cl.Cl
InChIInChI=1S/C20H23FN4O.2ClH/c1-12(2)25-18-7-5-15(21)11-17(18)24-20(25)14-4-6-16(13(3)10-14)23-19(26)8-9-22;;/h4-7,10-12H,8-9,22H2,1-3H3,(H,23,26);2*1H
InChIKeyHVSLPQFYQFHIMG-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.86
Rot. Bonds5

About 3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride

3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride (PubChem CID 119900909) has the molecular formula C20H25Cl2FN4O and a molecular weight of 427.35 g/mol. Its IUPAC name is 3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride
PubChem CID119900909
Molecular FormulaC20H25Cl2FN4O
Molecular Weight427.35 g/mol
Exact Mass426.14
IUPAC Name3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride
SMILESCc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)CCN.Cl.Cl
InChIInChI=1S/C20H23FN4O.2ClH/c1-12(2)25-18-7-5-15(21)11-17(18)24-20(25)14-4-6-16(13(3)10-14)23-19(26)8-9-22;;/h4-7,10-12H,8-9,22H2,1-3H3,(H,23,26);2*1H
InChIKeyHVSLPQFYQFHIMG-UHFFFAOYSA-N
XLogP4.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119890958
3-amino-N-[4-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 120504377
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide
CID 119342267
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091
[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792
N-[4-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119900939
2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide
CID 166427691
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800893

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride (CID 119900909) is 3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride is Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)CCN.Cl.Cl.
What is the InChIKey of 3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride?
The InChIKey is HVSLPQFYQFHIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O.2ClH/c1-12(2)25-18-7-5-15(21)11-17(18)24-20(25)14-4-6-16(13(3)10-14)23-19(26)8-9-22;;/h4-7,10-12H,8-9,22H2,1-3H3,(H,23,26);2*1H.
What are the key properties of 3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride?
3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride has a molecular weight of 427.35 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119900909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).