2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

C15H13F2N3O2 — CID 31808023

IUPAC2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2cc(F)c(F)cc21)c1ccco1
InChIInChI=1S/C15H13F2N3O2/c1-9(14-3-2-4-22-14)19-15(21)7-20-8-18-12-5-10(16)11(17)6-13(12)20/h2-6,8-9H,7H2,1H3,(H,19,21)/t9-/m1/s1
InChIKeyASGFZAPCOMUXHW-SECBINFHSA-N
MW305.28 g/mol
LogP2.78
Rot. Bonds4

About 2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 31808023) has the molecular formula C15H13F2N3O2 and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
PubChem CID31808023
Molecular FormulaC15H13F2N3O2
Molecular Weight305.28 g/mol
Exact Mass305.10
IUPAC Name2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2cc(F)c(F)cc21)c1ccco1
InChIInChI=1S/C15H13F2N3O2/c1-9(14-3-2-4-22-14)19-15(21)7-20-8-18-12-5-10(16)11(17)6-13(12)20/h2-6,8-9H,7H2,1H3,(H,19,21)/t9-/m1/s1
InChIKeyASGFZAPCOMUXHW-SECBINFHSA-N
XLogP2.78
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 51865491
5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole
CID 113223340
2-(5,6-difluorobenzimidazol-1-yl)-N-(4-ethylphenyl)acetamide
CID 31788561
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 45406874
2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31807275
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 95060738
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
N-[(1R)-1-(furan-2-yl)ethyl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 8573348
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide
CID 63577776

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (CID 31808023) is 2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is C[C@@H](NC(=O)Cn1cnc2cc(F)c(F)cc21)c1ccco1.
What is the InChIKey of 2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is ASGFZAPCOMUXHW-SECBINFHSA-N. The full InChI is InChI=1S/C15H13F2N3O2/c1-9(14-3-2-4-22-14)19-15(21)7-20-8-18-12-5-10(16)11(17)6-13(12)20/h2-6,8-9H,7H2,1H3,(H,19,21)/t9-/m1/s1.
What are the key properties of 2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 305.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 31808023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).