N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide

C22H25FN4O2 — CID 24793682

IUPACN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C22H25FN4O2/c1-3-26-19-13-17(24-21(28)15-7-9-16(23)10-8-15)18(25-11-5-6-12-25)14-20(19)27(4-2)22(26)29/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,28)
InChIKeyHNVBFAVZIWXKOE-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.83
Rot. Bonds5

About N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide

N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide (PubChem CID 24793682) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
PubChem CID24793682
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C22H25FN4O2/c1-3-26-19-13-17(24-21(28)15-7-9-16(23)10-8-15)18(25-11-5-6-12-25)14-20(19)27(4-2)22(26)29/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,28)
InChIKeyHNVBFAVZIWXKOE-UHFFFAOYSA-N
XLogP3.83
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide (CID 24793682) is N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide is CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide?
The InChIKey is HNVBFAVZIWXKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-3-26-19-13-17(24-21(28)15-7-9-16(23)10-8-15)18(25-11-5-6-12-25)14-20(19)27(4-2)22(26)29/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,28).
What are the key properties of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide?
N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide has a molecular weight of 396.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 24793682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).