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

C23H18N6O — CID 118986188

IUPACN-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1nc2ccccc2[nH]1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C23H18N6O/c30-23(20-14-19(28-29-20)16-10-6-7-13-24-16)27-21(15-8-2-1-3-9-15)22-25-17-11-4-5-12-18(17)26-22/h1-14,21H,(H,25,26)(H,27,30)(H,28,29)
InChIKeyDRGPJWWIPPMLJX-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.87
Rot. Bonds5

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

N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 118986188) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID118986188
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1nc2ccccc2[nH]1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C23H18N6O/c30-23(20-14-19(28-29-20)16-10-6-7-13-24-16)27-21(15-8-2-1-3-9-15)22-25-17-11-4-5-12-18(17)26-22/h1-14,21H,(H,25,26)(H,27,30)(H,28,29)
InChIKeyDRGPJWWIPPMLJX-UHFFFAOYSA-N
XLogP3.87
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204460
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732
N-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 71827608
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 99870944
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
CID 43889826
2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890007
N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
CID 71984376
3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 74231438
4-nitro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890144

Frequently Asked Questions

What is the IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 118986188) is N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is O=C(NC(c1ccccc1)c1nc2ccccc2[nH]1)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is DRGPJWWIPPMLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c30-23(20-14-19(28-29-20)16-10-6-7-13-24-16)27-21(15-8-2-1-3-9-15)22-25-17-11-4-5-12-18(17)26-22/h1-14,21H,(H,25,26)(H,27,30)(H,28,29).
What are the key properties of N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118986188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).