2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide

C24H21N5O — CID 46784670

IUPAC2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(Cn2c(Cc3ccccc3)nc3ccccc32)nc2ccccc21
InChIInChI=1S/C24H21N5O/c25-22(30)15-28-20-12-6-5-11-19(20)27-24(28)16-29-21-13-7-4-10-18(21)26-23(29)14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H2,25,30)
InChIKeyHVCFTBQDTSXTAK-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.51
Rot. Bonds6

About 2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide

2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 46784670) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
PubChem CID46784670
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(Cn2c(Cc3ccccc3)nc3ccccc32)nc2ccccc21
InChIInChI=1S/C24H21N5O/c25-22(30)15-28-20-12-6-5-11-19(20)27-24(28)16-29-21-13-7-4-10-18(21)26-23(29)14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H2,25,30)
InChIKeyHVCFTBQDTSXTAK-UHFFFAOYSA-N
XLogP3.51
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
CID 46784668
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
(E)-3-[4-[(1-benzylbenzimidazol-2-yl)methyl]phenyl]prop-2-enoic acid
CID 58740516
2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 16995629
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 17032346
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide (CID 46784670) is 2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide is NC(=O)Cn1c(Cn2c(Cc3ccccc3)nc3ccccc32)nc2ccccc21.
What is the InChIKey of 2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is HVCFTBQDTSXTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c25-22(30)15-28-20-12-6-5-11-19(20)27-24(28)16-29-21-13-7-4-10-18(21)26-23(29)14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H2,25,30).
What are the key properties of 2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide?
2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 395.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 46784670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).