N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C22H16N6O — CID 53008213

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C22H16N6O/c29-22(20-13-19(27-28-20)14-9-11-23-12-10-14)24-16-7-5-15(6-8-16)21-25-17-3-1-2-4-18(17)26-21/h1-13H,(H,24,29)(H,25,26)(H,27,28)
InChIKeyCEUUXBYAGLBDHL-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.27
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 53008213) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID53008213
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C22H16N6O/c29-22(20-13-19(27-28-20)14-9-11-23-12-10-14)24-16-7-5-15(6-8-16)21-25-17-3-1-2-4-18(17)26-21/h1-13H,(H,24,29)(H,25,26)(H,27,28)
InChIKeyCEUUXBYAGLBDHL-UHFFFAOYSA-N
XLogP4.27
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
CID 4622832
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 99870944
N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 27649691
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 20930867
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4855019
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
CID 46823373

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 53008213) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is CEUUXBYAGLBDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c29-22(20-13-19(27-28-20)14-9-11-23-12-10-14)24-16-7-5-15(6-8-16)21-25-17-3-1-2-4-18(17)26-21/h1-13H,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53008213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).