[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone

C21H23FN4O — CID 25030894

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(Cn3cnc4c(F)cccc43)cc2)C1
InChIInChI=1S/C21H23FN4O/c1-24(2)17-10-11-25(13-17)21(27)16-8-6-15(7-9-16)12-26-14-23-20-18(22)4-3-5-19(20)26/h3-9,14,17H,10-13H2,1-2H3
InChIKeyKMGRYCOPEWXFGC-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.00
Rot. Bonds4

About [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone (PubChem CID 25030894) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone
PubChem CID25030894
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(Cn3cnc4c(F)cccc43)cc2)C1
InChIInChI=1S/C21H23FN4O/c1-24(2)17-10-11-25(13-17)21(27)16-8-6-15(7-9-16)12-26-14-23-20-18(22)4-3-5-19(20)26/h3-9,14,17H,10-13H2,1-2H3
InChIKeyKMGRYCOPEWXFGC-UHFFFAOYSA-N
XLogP3.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone (CID 25030894) is [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone is CN(C)C1CCN(C(=O)c2ccc(Cn3cnc4c(F)cccc43)cc2)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone?
The InChIKey is KMGRYCOPEWXFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-24(2)17-10-11-25(13-17)21(27)16-8-6-15(7-9-16)12-26-14-23-20-18(22)4-3-5-19(20)26/h3-9,14,17H,10-13H2,1-2H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone has a molecular weight of 366.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(4-fluorobenzimidazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 25030894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).