6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide

C25H24FN5O2 — CID 28738928

IUPAC6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide
SMILESCCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)NCc3ncccc3C)c21
InChIInChI=1S/C25H24FN5O2/c1-4-31-23-19(25(33)28-14-22-15(2)8-7-11-27-22)12-17(29-16(3)32)13-21(23)30-24(31)18-9-5-6-10-20(18)26/h5-13H,4,14H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyUIWJDRBHCIFHEW-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.45
Rot. Bonds6

About 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide

6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide (PubChem CID 28738928) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide
PubChem CID28738928
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide
SMILESCCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)NCc3ncccc3C)c21
InChIInChI=1S/C25H24FN5O2/c1-4-31-23-19(25(33)28-14-22-15(2)8-7-11-27-22)12-17(29-16(3)32)13-21(23)30-24(31)18-9-5-6-10-20(18)26/h5-13H,4,14H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyUIWJDRBHCIFHEW-UHFFFAOYSA-N
XLogP4.45
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzimidazole-4-carboxamide
CID 45165909
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide
CID 42483858
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]benzimidazole-4-carboxamide
CID 42375992
N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide
CID 42471990
6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide
CID 42164827
2,5-dihydroxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103892445
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
5-chloro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309175
3-fluoro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309300
N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide
CID 42246905
4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113232081

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide?
The IUPAC name of 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide (CID 28738928) is 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide is CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)NCc3ncccc3C)c21.
What is the InChIKey of 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide?
The InChIKey is UIWJDRBHCIFHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-4-31-23-19(25(33)28-14-22-15(2)8-7-11-27-22)12-17(29-16(3)32)13-21(23)30-24(31)18-9-5-6-10-20(18)26/h5-13H,4,14H2,1-3H3,(H,28,33)(H,29,32).
What are the key properties of 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide?
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 28738928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).