2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide

C25H25N3O4 — CID 46653202

IUPAC2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1
InChIInChI=1S/C25H25N3O4/c1-16-27-20-12-17(10-11-21(20)28(16)19-8-6-5-7-9-19)25(29)26-15-18-13-23(31-3)24(32-4)14-22(18)30-2/h5-14H,15H2,1-4H3,(H,26,29)
InChIKeyJXGWIVQKAUHUON-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.29
Rot. Bonds7

About 2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide

2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 46653202) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID46653202
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1
InChIInChI=1S/C25H25N3O4/c1-16-27-20-12-17(10-11-21(20)28(16)19-8-6-5-7-9-19)25(29)26-15-18-13-23(31-3)24(32-4)14-22(18)30-2/h5-14H,15H2,1-4H3,(H,26,29)
InChIKeyJXGWIVQKAUHUON-UHFFFAOYSA-N
XLogP4.29
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 56524502
2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
CID 46541611
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 120652968
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 46981643
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 55505787
1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 6617180
1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
CID 3244293
ethyl 3-hydroxy-2-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]propanoate
CID 136519748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide (CID 46653202) is 2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is JXGWIVQKAUHUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-16-27-20-12-17(10-11-21(20)28(16)19-8-6-5-7-9-19)25(29)26-15-18-13-23(31-3)24(32-4)14-22(18)30-2/h5-14H,15H2,1-4H3,(H,26,29).
What are the key properties of 2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide?
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 46653202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).