N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

C23H20N6O2 — CID 46969266

IUPACN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3ccc(CCc4nc5ccccc5[nH]4)cc3)no2)cn1
InChIInChI=1S/C23H20N6O2/c1-29-14-16(13-24-29)21-12-20(28-31-21)23(30)25-17-9-6-15(7-10-17)8-11-22-26-18-4-2-3-5-19(18)27-22/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,30)(H,26,27)
InChIKeyIANNJIYYTCINOZ-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.99
Rot. Bonds6

About N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 46969266) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID46969266
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3ccc(CCc4nc5ccccc5[nH]4)cc3)no2)cn1
InChIInChI=1S/C23H20N6O2/c1-29-14-16(13-24-29)21-12-20(28-31-21)23(30)25-17-9-6-15(7-10-17)8-11-22-26-18-4-2-3-5-19(18)27-22/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,30)(H,26,27)
InChIKeyIANNJIYYTCINOZ-UHFFFAOYSA-N
XLogP3.99
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzyl-3H-benzimidazol-5-yl)-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 46975532
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 20930867
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46290599
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 20930873
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide
CID 166207622
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea
CID 50825327
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 46290554
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
CID 46382289
ethyl 2-[4-[[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]carbamoylamino]phenyl]acetate
CID 46382279
3-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-N-hydroxyprop-2-enamide
CID 75030713

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 46969266) is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is Cn1cc(-c2cc(C(=O)Nc3ccc(CCc4nc5ccccc5[nH]4)cc3)no2)cn1.
What is the InChIKey of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is IANNJIYYTCINOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-29-14-16(13-24-29)21-12-20(28-31-21)23(30)25-17-9-6-15(7-10-17)8-11-22-26-18-4-2-3-5-19(18)27-22/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46969266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).