N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide

C27H27N5O4 — CID 42164622

IUPACN-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c(c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C27H27N5O4/c1-18-28-23-16-21(29-19(2)33)15-22(25(23)32(18)17-20-7-4-3-5-8-20)26(34)30-10-12-31(13-11-30)27(35)24-9-6-14-36-24/h3-9,14-16H,10-13,17H2,1-2H3,(H,29,33)
InChIKeyNYULNYAAWIYPQK-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.54
Rot. Bonds5

About N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide

N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide (PubChem CID 42164622) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide
PubChem CID42164622
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC NameN-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c(c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C27H27N5O4/c1-18-28-23-16-21(29-19(2)33)15-22(25(23)32(18)17-20-7-4-3-5-8-20)26(34)30-10-12-31(13-11-30)27(35)24-9-6-14-36-24/h3-9,14-16H,10-13,17H2,1-2H3,(H,29,33)
InChIKeyNYULNYAAWIYPQK-UHFFFAOYSA-N
XLogP3.54
TPSA100.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide
CID 46375309
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110801888
methyl (2S)-1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 42164372
2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004702
N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 91937739
3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 41231476
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
ethyl 4-[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]piperazine-1-carboxylate
CID 42170001
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide?
The IUPAC name of N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide (CID 42164622) is N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide?
The canonical SMILES for N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide is CC(=O)Nc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c(c1)nc(C)n2Cc1ccccc1.
What is the InChIKey of N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide?
The InChIKey is NYULNYAAWIYPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-18-28-23-16-21(29-19(2)33)15-22(25(23)32(18)17-20-7-4-3-5-8-20)26(34)30-10-12-31(13-11-30)27(35)24-9-6-14-36-24/h3-9,14-16H,10-13,17H2,1-2H3,(H,29,33).
What are the key properties of N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide?
N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide is sourced from PubChem (CID 42164622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).