2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide

C28H28N4O3 — CID 11503708

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1cccc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1
InChIInChI=1S/C28H28N4O3/c1-19-30-24-7-2-3-8-25(24)32(19)17-27(33)31-23-6-4-5-20(16-23)21-9-10-26-22(15-21)18-34-28(35-26)11-13-29-14-12-28/h2-10,15-16,29H,11-14,17-18H2,1H3,(H,31,33)
InChIKeyONUZRXQJTINWIR-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.64
Rot. Bonds4

About 2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide

2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide (PubChem CID 11503708) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
PubChem CID11503708
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1cccc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1
InChIInChI=1S/C28H28N4O3/c1-19-30-24-7-2-3-8-25(24)32(19)17-27(33)31-23-6-4-5-20(16-23)21-9-10-26-22(15-21)18-34-28(35-26)11-13-29-14-12-28/h2-10,15-16,29H,11-14,17-18H2,1H3,(H,31,33)
InChIKeyONUZRXQJTINWIR-UHFFFAOYSA-N
XLogP4.64
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
CID 58711792
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 7755868
2-(2-oxoquinoxalin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 8891989
N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 110129982
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 56811562
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
N-(3-bromophenyl)-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 17033320
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide (CID 11503708) is 2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide is Cc1nc2ccccc2n1CC(=O)Nc1cccc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide?
The InChIKey is ONUZRXQJTINWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-19-30-24-7-2-3-8-25(24)32(19)17-27(33)31-23-6-4-5-20(16-23)21-9-10-26-22(15-21)18-34-28(35-26)11-13-29-14-12-28/h2-10,15-16,29H,11-14,17-18H2,1H3,(H,31,33).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide?
2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide has a molecular weight of 468.56 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide is sourced from PubChem (CID 11503708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).