N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

C27H27N5O2 — CID 112767743

IUPACN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C27H27N5O2/c1-20-29-22-12-5-7-14-24(22)31(20)17-9-16-28-27(33)18-32-25-15-8-6-13-23(25)30-26(32)19-34-21-10-3-2-4-11-21/h2-8,10-15H,9,16-19H2,1H3,(H,28,33)
InChIKeyJLOHZMZZSXJQKJ-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.48
Rot. Bonds9

About N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 112767743) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID112767743
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C27H27N5O2/c1-20-29-22-12-5-7-14-24(22)31(20)17-9-16-28-27(33)18-32-25-15-8-6-13-23(25)30-26(32)19-34-21-10-3-2-4-11-21/h2-8,10-15H,9,16-19H2,1H3,(H,28,33)
InChIKeyJLOHZMZZSXJQKJ-UHFFFAOYSA-N
XLogP4.48
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450
N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767643
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 40716506
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
2-(2-ethylbenzimidazol-1-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 17417716
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799713
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 112767743) is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is Cc1nc2ccccc2n1CCCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is JLOHZMZZSXJQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-20-29-22-12-5-7-14-24(22)31(20)17-9-16-28-27(33)18-32-25-15-8-6-13-23(25)30-26(32)19-34-21-10-3-2-4-11-21/h2-8,10-15H,9,16-19H2,1H3,(H,28,33).
What are the key properties of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 453.55 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 112767743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).