N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide

C25H23FN4O2 — CID 50789623

IUPACN-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
SMILESCCC(=O)Nc1ccc(CCc2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C25H23FN4O2/c1-2-24(31)27-19-9-3-16(4-10-19)5-14-23-29-21-13-6-17(15-22(21)30-23)25(32)28-20-11-7-18(26)8-12-20/h3-4,6-13,15H,2,5,14H2,1H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyIULAUIVFVQQRNZ-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.09
Rot. Bonds7

About N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide

N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 50789623) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID50789623
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC NameN-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
SMILESCCC(=O)Nc1ccc(CCc2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1
InChIInChI=1S/C25H23FN4O2/c1-2-24(31)27-19-9-3-16(4-10-19)5-14-23-29-21-13-6-17(15-22(21)30-23)25(32)28-20-11-7-18(26)8-12-20/h3-4,6-13,15H,2,5,14H2,1H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyIULAUIVFVQQRNZ-UHFFFAOYSA-N
XLogP5.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylsulfanylphenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789523
N-[(4-chlorophenyl)methyl]-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789572
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 50789590
N-(3,4-dimethoxyphenyl)-2-[2-[4-(2-methylpropanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789464
2-[2-(4-acetamidophenyl)ethyl]-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 46335013
4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide
CID 139827149
1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea
CID 155114131

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide (CID 50789623) is N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide is CCC(=O)Nc1ccc(CCc2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is IULAUIVFVQQRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-2-24(31)27-19-9-3-16(4-10-19)5-14-23-29-21-13-6-17(15-22(21)30-23)25(32)28-20-11-7-18(26)8-12-20/h3-4,6-13,15H,2,5,14H2,1H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide?
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 5.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 50789623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).