5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide

C22H26FN5O2 — CID 60567449

IUPAC5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide
SMILESCCN(CC)CCn1c(NC(=O)c2cc(NC(C)=O)ccc2F)nc2ccccc21
InChIInChI=1S/C22H26FN5O2/c1-4-27(5-2)12-13-28-20-9-7-6-8-19(20)25-22(28)26-21(30)17-14-16(24-15(3)29)10-11-18(17)23/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,29)(H,25,26,30)
InChIKeyALXIBMWTPQQOIQ-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.73
Rot. Bonds8

About 5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide

5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide (PubChem CID 60567449) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide
PubChem CID60567449
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide
SMILESCCN(CC)CCn1c(NC(=O)c2cc(NC(C)=O)ccc2F)nc2ccccc21
InChIInChI=1S/C22H26FN5O2/c1-4-27(5-2)12-13-28-20-9-7-6-8-19(20)25-22(28)26-21(30)17-14-16(24-15(3)29)10-11-18(17)23/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,29)(H,25,26,30)
InChIKeyALXIBMWTPQQOIQ-UHFFFAOYSA-N
XLogP3.73
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 55495982
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide
CID 60567418
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 46823553
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112807743

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide?
The IUPAC name of 5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide (CID 60567449) is 5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for 5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for 5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide is CCN(CC)CCn1c(NC(=O)c2cc(NC(C)=O)ccc2F)nc2ccccc21.
What is the InChIKey of 5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide?
The InChIKey is ALXIBMWTPQQOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-4-27(5-2)12-13-28-20-9-7-6-8-19(20)25-22(28)26-21(30)17-14-16(24-15(3)29)10-11-18(17)23/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,29)(H,25,26,30).
What are the key properties of 5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide?
5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide has a molecular weight of 411.48 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 60567449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).