4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

C23H27FN4O — CID 68736106

IUPAC4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cnc4c(F)cccc43)cc2)C1
InChIInChI=1S/C23H27FN4O/c1-16(2)27-12-11-19(14-27)26(3)23(29)18-9-7-17(8-10-18)13-28-15-25-22-20(24)5-4-6-21(22)28/h4-10,15-16,19H,11-14H2,1-3H3/t19-/m1/s1
InChIKeyLWBXSHTUACXAFN-LJQANCHMSA-N
MW394.49 g/mol
LogP3.78
Rot. Bonds5

About 4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 68736106) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
PubChem CID68736106
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cnc4c(F)cccc43)cc2)C1
InChIInChI=1S/C23H27FN4O/c1-16(2)27-12-11-19(14-27)26(3)23(29)18-9-7-17(8-10-18)13-28-15-25-22-20(24)5-4-6-21(22)28/h4-10,15-16,19H,11-14H2,1-3H3/t19-/m1/s1
InChIKeyLWBXSHTUACXAFN-LJQANCHMSA-N
XLogP3.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (CID 68736106) is 4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cnc4c(F)cccc43)cc2)C1.
What is the InChIKey of 4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is LWBXSHTUACXAFN-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-16(2)27-12-11-19(14-27)26(3)23(29)18-9-7-17(8-10-18)13-28-15-25-22-20(24)5-4-6-21(22)28/h4-10,15-16,19H,11-14H2,1-3H3/t19-/m1/s1.
What are the key properties of 4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 394.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 68736106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).