2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide

C22H23F2N3O3 — CID 23634328

IUPAC2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide
SMILESCC(=O)c1cccc2ncn(CC(=O)NC(C)c3ccc(OC(CF)CF)cc3)c12
InChIInChI=1S/C22H23F2N3O3/c1-14(16-6-8-17(9-7-16)30-18(10-23)11-24)26-21(29)12-27-13-25-20-5-3-4-19(15(2)28)22(20)27/h3-9,13-14,18H,10-12H2,1-2H3,(H,26,29)
InChIKeyUVRSMFNDBVPRIL-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.80
Rot. Bonds9

About 2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide

2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide (PubChem CID 23634328) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is 2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide
PubChem CID23634328
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide
SMILESCC(=O)c1cccc2ncn(CC(=O)NC(C)c3ccc(OC(CF)CF)cc3)c12
InChIInChI=1S/C22H23F2N3O3/c1-14(16-6-8-17(9-7-16)30-18(10-23)11-24)26-21(29)12-27-13-25-20-5-3-4-19(15(2)28)22(20)27/h3-9,13-14,18H,10-12H2,1-2H3,(H,26,29)
InChIKeyUVRSMFNDBVPRIL-UHFFFAOYSA-N
XLogP3.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 67499638
N-[1-[4-[(2S)-but-3-yn-2-yl]oxyphenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 23633529
2-(4-oxoquinazolin-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46423728
N-[1-[4-[chloro(difluoro)methyl]phenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 23633531
2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide
CID 23633746
2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide
CID 23633741
N-[1-[5-chloro-6-(2-fluoroethoxy)-3-pyridinyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 23633892
N-[1-(4-tert-butylphenyl)ethyl]-2-(7-cyanobenzimidazol-1-yl)acetamide;N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide
CID 69064572
N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide
CID 143625155
2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide
CID 11596534
N-[(1R)-1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide
CID 66649313
2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[(1S)-1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]acetamide
CID 24850475

Frequently Asked Questions

What is the IUPAC name of 2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide (CID 23634328) is 2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide is CC(=O)c1cccc2ncn(CC(=O)NC(C)c3ccc(OC(CF)CF)cc3)c12.
What is the InChIKey of 2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide?
The InChIKey is UVRSMFNDBVPRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-14(16-6-8-17(9-7-16)30-18(10-23)11-24)26-21(29)12-27-13-25-20-5-3-4-19(15(2)28)22(20)27/h3-9,13-14,18H,10-12H2,1-2H3,(H,26,29).
What are the key properties of 2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide?
2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide has a molecular weight of 415.44 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 23634328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).