N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C23H22FN5O — CID 3344467

IUPACN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C23H22FN5O/c1-15-14-20(29(28-15)22-25-18-6-2-3-7-19(18)26-22)27-21(30)23(12-4-5-13-23)16-8-10-17(24)11-9-16/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,25,26)(H,27,30)
InChIKeyVVEXIIRIPWBAOX-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.65
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 3344467) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID3344467
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C23H22FN5O/c1-15-14-20(29(28-15)22-25-18-6-2-3-7-19(18)26-22)27-21(30)23(12-4-5-13-23)16-8-10-17(24)11-9-16/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,25,26)(H,27,30)
InChIKeyVVEXIIRIPWBAOX-UHFFFAOYSA-N
XLogP4.65
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 3344467) is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)n(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is VVEXIIRIPWBAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-15-14-20(29(28-15)22-25-18-6-2-3-7-19(18)26-22)27-21(30)23(12-4-5-13-23)16-8-10-17(24)11-9-16/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,25,26)(H,27,30).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 3344467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).