N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide

C26H26N4O2 — CID 112809550

IUPACN-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H26N4O2/c1-26(2,3)18-14-12-17(13-15-18)25(32)27-16-23(31)28-20-9-5-4-8-19(20)24-29-21-10-6-7-11-22(21)30-24/h4-15H,16H2,1-3H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyZNQKXYBYLSPVEJ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.90
Rot. Bonds5

About N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide

N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide (PubChem CID 112809550) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
PubChem CID112809550
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H26N4O2/c1-26(2,3)18-14-12-17(13-15-18)25(32)27-16-23(31)28-20-9-5-4-8-19(20)24-29-21-10-6-7-11-22(21)30-24/h4-15H,16H2,1-3H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyZNQKXYBYLSPVEJ-UHFFFAOYSA-N
XLogP4.90
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide
CID 9111149
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 60527286
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
CID 739930
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997603
4-[(E)-3-[2-(1H-benzimidazol-2-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002526
ethyl 4-[4-[[2-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 4283004
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 86917491
3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
CID 7150618
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide
CID 18585805
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 134059402

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide (CID 112809550) is N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide?
The InChIKey is ZNQKXYBYLSPVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-26(2,3)18-14-12-17(13-15-18)25(32)27-16-23(31)28-20-9-5-4-8-19(20)24-29-21-10-6-7-11-22(21)30-24/h4-15H,16H2,1-3H3,(H,27,32)(H,28,31)(H,29,30).
What are the key properties of N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide?
N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide has a molecular weight of 426.52 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 112809550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).