7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide

C25H25N5O3 — CID 26278540

IUPAC7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N(C)Cc2ccccn2)cc2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C25H25N5O3/c1-29(15-19-11-7-8-12-26-19)25(32)18-13-20(27-22(31)16-33-3)23-21(14-18)28-24(30(23)2)17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,27,31)
InChIKeySALRXKSKBLPZCO-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.49
Rot. Bonds7

About 7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide

7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 26278540) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID26278540
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N(C)Cc2ccccn2)cc2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C25H25N5O3/c1-29(15-19-11-7-8-12-26-19)25(32)18-13-20(27-22(31)16-33-3)23-21(14-18)28-24(30(23)2)17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,27,31)
InChIKeySALRXKSKBLPZCO-UHFFFAOYSA-N
XLogP3.49
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide
CID 42432983
7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide
CID 42431979
7-[(2-methoxyacetyl)amino]-1-methyl-2-pyridin-3-yl-N-[[(1S,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]benzimidazole-5-carboxamide
CID 42436335
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
CID 86870098
4-methoxy-N-methyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 71909818
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 47490885
2-methoxy-N-[4-methyl-3-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]phenyl]acetamide
CID 72842851
1-(4-methoxyphenyl)-N-methyl-6-oxo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91954977
6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
CID 26279270

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide (CID 26278540) is 7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide is COCC(=O)Nc1cc(C(=O)N(C)Cc2ccccn2)cc2nc(-c3ccccc3)n(C)c12.
What is the InChIKey of 7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is SALRXKSKBLPZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-29(15-19-11-7-8-12-26-19)25(32)18-13-20(27-22(31)16-33-3)23-21(14-18)28-24(30(23)2)17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,27,31).
What are the key properties of 7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 26278540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).