2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide

C21H19ClF2N4O — CID 24850172

IUPAC2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1cnc2ccc(F)c(Cl)c21)c1ccc(C(C)(C)C#N)c(F)c1
InChIInChI=1S/C21H19ClF2N4O/c1-12(13-4-5-14(16(24)8-13)21(2,3)10-25)27-18(29)9-28-11-26-17-7-6-15(23)19(22)20(17)28/h4-8,11-12H,9H2,1-3H3,(H,27,29)
InChIKeyFMNGJTZLSAZEMM-UHFFFAOYSA-N
MW416.86 g/mol
LogP4.65
Rot. Bonds5

About 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide

2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide (PubChem CID 24850172) has the molecular formula C21H19ClF2N4O and a molecular weight of 416.86 g/mol. Its IUPAC name is 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide
PubChem CID24850172
Molecular FormulaC21H19ClF2N4O
Molecular Weight416.86 g/mol
Exact Mass416.12
IUPAC Name2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1cnc2ccc(F)c(Cl)c21)c1ccc(C(C)(C)C#N)c(F)c1
InChIInChI=1S/C21H19ClF2N4O/c1-12(13-4-5-14(16(24)8-13)21(2,3)10-25)27-18(29)9-28-11-26-17-7-6-15(23)19(22)20(17)28/h4-8,11-12H,9H2,1-3H3,(H,27,29)
InChIKeyFMNGJTZLSAZEMM-UHFFFAOYSA-N
XLogP4.65
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide?
The IUPAC name of 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide (CID 24850172) is 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide.
What is the SMILES notation for 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide?
The canonical SMILES for 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide is CC(NC(=O)Cn1cnc2ccc(F)c(Cl)c21)c1ccc(C(C)(C)C#N)c(F)c1.
What is the InChIKey of 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide?
The InChIKey is FMNGJTZLSAZEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O/c1-12(13-4-5-14(16(24)8-13)21(2,3)10-25)27-18(29)9-28-11-26-17-7-6-15(23)19(22)20(17)28/h4-8,11-12H,9H2,1-3H3,(H,27,29).
What are the key properties of 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide?
2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide has a molecular weight of 416.86 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide is sourced from PubChem (CID 24850172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).