3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide

C16H19FN4O2 — CID 74240102

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
SMILESO=C(CCc1nc2ccc(F)cc2[nH]1)NCC(=O)N1CCCC1
InChIInChI=1S/C16H19FN4O2/c17-11-3-4-12-13(9-11)20-14(19-12)5-6-15(22)18-10-16(23)21-7-1-2-8-21/h3-4,9H,1-2,5-8,10H2,(H,18,22)(H,19,20)
InChIKeyOPGFMWQSVCIQKQ-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.37
Rot. Bonds5

About 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide

3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 74240102) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID74240102
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
SMILESO=C(CCc1nc2ccc(F)cc2[nH]1)NCC(=O)N1CCCC1
InChIInChI=1S/C16H19FN4O2/c17-11-3-4-12-13(9-11)20-14(19-12)5-6-15(22)18-10-16(23)21-7-1-2-8-21/h3-4,9H,1-2,5-8,10H2,(H,18,22)(H,19,20)
InChIKeyOPGFMWQSVCIQKQ-UHFFFAOYSA-N
XLogP1.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107
1-(azepan-1-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 6501370
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
CID 131927508
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide
CID 74230128
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide
CID 50948697
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide (CID 74240102) is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide is O=C(CCc1nc2ccc(F)cc2[nH]1)NCC(=O)N1CCCC1.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is OPGFMWQSVCIQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-11-3-4-12-13(9-11)20-14(19-12)5-6-15(22)18-10-16(23)21-7-1-2-8-21/h3-4,9H,1-2,5-8,10H2,(H,18,22)(H,19,20).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 318.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 74240102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).