N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide

C14H16FN5O2 — CID 86283839

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)NCc2nc3ccc(F)cc3[nH]2)CCN1
InChIInChI=1S/C14H16FN5O2/c15-9-1-2-10-11(5-9)19-12(18-10)6-17-14(22)8-20-4-3-16-13(21)7-20/h1-2,5H,3-4,6-8H2,(H,16,21)(H,17,22)(H,18,19)
InChIKeyUXLIITUMSPXCOZ-UHFFFAOYSA-N
MW305.31 g/mol
LogP-0.25
Rot. Bonds4

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 86283839) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID86283839
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)NCc2nc3ccc(F)cc3[nH]2)CCN1
InChIInChI=1S/C14H16FN5O2/c15-9-1-2-10-11(5-9)19-12(18-10)6-17-14(22)8-20-4-3-16-13(21)7-20/h1-2,5H,3-4,6-8H2,(H,16,21)(H,17,22)(H,18,19)
InChIKeyUXLIITUMSPXCOZ-UHFFFAOYSA-N
XLogP-0.25
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2546535
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119885398
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941709
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 77080225
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
(2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081687

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 86283839) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide is O=C1CN(CC(=O)NCc2nc3ccc(F)cc3[nH]2)CCN1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is UXLIITUMSPXCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c15-9-1-2-10-11(5-9)19-12(18-10)6-17-14(22)8-20-4-3-16-13(21)7-20/h1-2,5H,3-4,6-8H2,(H,16,21)(H,17,22)(H,18,19).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 305.31 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 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]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 86283839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).