7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide

C25H26N6O3 — CID 42431979

IUPAC7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)NCCc2cnccn2)cc2ncn(CCc3ccccc3)c12
InChIInChI=1S/C25H26N6O3/c1-34-16-23(32)30-22-14-19(25(33)28-9-7-20-15-26-10-11-27-20)13-21-24(22)31(17-29-21)12-8-18-5-3-2-4-6-18/h2-6,10-11,13-15,17H,7-9,12,16H2,1H3,(H,28,33)(H,30,32)
InChIKeyIZESVTSJJBAASO-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.63
Rot. Bonds10

About 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide

7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide (PubChem CID 42431979) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide
PubChem CID42431979
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)NCCc2cnccn2)cc2ncn(CCc3ccccc3)c12
InChIInChI=1S/C25H26N6O3/c1-34-16-23(32)30-22-14-19(25(33)28-9-7-20-15-26-10-11-27-20)13-21-24(22)31(17-29-21)12-8-18-5-3-2-4-6-18/h2-6,10-11,13-15,17H,7-9,12,16H2,1H3,(H,28,33)(H,30,32)
InChIKeyIZESVTSJJBAASO-UHFFFAOYSA-N
XLogP2.63
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide
CID 42482087
1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide
CID 45243699
7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
CID 45175032
6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)-N-(2-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
CID 45183711
7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide
CID 26278402
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide
CID 26276093
7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 26278540
7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide
CID 42434929
2-(4-phenylphenyl)-N-(2-pyrazin-2-ylethyl)acetamide
CID 29029737
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide
CID 45181533

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide (CID 42431979) is 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide is COCC(=O)Nc1cc(C(=O)NCCc2cnccn2)cc2ncn(CCc3ccccc3)c12.
What is the InChIKey of 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is IZESVTSJJBAASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-34-16-23(32)30-22-14-19(25(33)28-9-7-20-15-26-10-11-27-20)13-21-24(22)31(17-29-21)12-8-18-5-3-2-4-6-18/h2-6,10-11,13-15,17H,7-9,12,16H2,1H3,(H,28,33)(H,30,32).
What are the key properties of 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide?
7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 42431979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).