N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide

C24H18FN5O — CID 166207622

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2ccc(F)c(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c2)cn1
InChIInChI=1S/C24H18FN5O/c1-30-14-17(13-26-30)16-8-11-20(25)19(12-16)24(31)27-18-9-6-15(7-10-18)23-28-21-4-2-3-5-22(21)29-23/h2-14H,1H3,(H,27,31)(H,28,29)
InChIKeyMJOFZHUSHYPNEM-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.02
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide (PubChem CID 166207622) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide
PubChem CID166207622
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2ccc(F)c(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c2)cn1
InChIInChI=1S/C24H18FN5O/c1-30-14-17(13-26-30)16-8-11-20(25)19(12-16)24(31)27-18-9-6-15(7-10-18)23-28-21-4-2-3-5-22(21)29-23/h2-14H,1H3,(H,27,31)(H,28,29)
InChIKeyMJOFZHUSHYPNEM-UHFFFAOYSA-N
XLogP5.02
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 39088716
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 42110942
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
CID 46823373
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579150
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
CID 4622832
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide
CID 166193644
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide (CID 166207622) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide is Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c2)cn1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is MJOFZHUSHYPNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c1-30-14-17(13-26-30)16-8-11-20(25)19(12-16)24(31)27-18-9-6-15(7-10-18)23-28-21-4-2-3-5-22(21)29-23/h2-14H,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 411.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 166207622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).