N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide

C21H23FN4O3 — CID 45179877

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CCC1(Cc2ccco2)CCC(=O)N1
InChIInChI=1S/C21H23FN4O3/c1-26(13-18-23-16-5-4-14(22)11-17(16)24-18)20(28)7-9-21(8-6-19(27)25-21)12-15-3-2-10-29-15/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,24)(H,25,27)
InChIKeyJATLPNXFCIVJIL-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.93
Rot. Bonds7

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide (PubChem CID 45179877) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide
PubChem CID45179877
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CCC1(Cc2ccco2)CCC(=O)N1
InChIInChI=1S/C21H23FN4O3/c1-26(13-18-23-16-5-4-14(22)11-17(16)24-18)20(28)7-9-21(8-6-19(27)25-21)12-15-3-2-10-29-15/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,24)(H,25,27)
InChIKeyJATLPNXFCIVJIL-UHFFFAOYSA-N
XLogP2.93
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide (CID 45179877) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide is CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CCC1(Cc2ccco2)CCC(=O)N1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The InChIKey is JATLPNXFCIVJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-26(13-18-23-16-5-4-14(22)11-17(16)24-18)20(28)7-9-21(8-6-19(27)25-21)12-15-3-2-10-29-15/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide has a molecular weight of 398.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 45179877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).