N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide

C25H25N3O4 — CID 1077765

IUPACN-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)nc(C)n3Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O4/c1-16-26-20-14-19(10-11-21(20)28(16)15-17-8-6-5-7-9-17)27-25(29)18-12-22(30-2)24(32-4)23(13-18)31-3/h5-14H,15H2,1-4H3,(H,27,29)
InChIKeyHEDKKPPSDKMCDZ-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.67
Rot. Bonds7

About N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide

N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide (PubChem CID 1077765) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
PubChem CID1077765
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)nc(C)n3Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O4/c1-16-26-20-14-19(10-11-21(20)28(16)15-17-8-6-5-7-9-17)27-25(29)18-12-22(30-2)24(32-4)23(13-18)31-3/h5-14H,15H2,1-4H3,(H,27,29)
InChIKeyHEDKKPPSDKMCDZ-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
CID 168521415
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide
CID 23761240
N-[2-(azepan-1-ylmethyl)-1-propylbenzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 46263978
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide
CID 1077763
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
1-[(1-benzyl-2-methylbenzimidazol-5-yl)amino]-3-chloropropan-2-ol
CID 168637879
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3,4,5-trimethoxybenzamide
CID 54858591

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide (CID 1077765) is N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3c(c2)nc(C)n3Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is HEDKKPPSDKMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-16-26-20-14-19(10-11-21(20)28(16)15-17-8-6-5-7-9-17)27-25(29)18-12-22(30-2)24(32-4)23(13-18)31-3/h5-14H,15H2,1-4H3,(H,27,29).
What are the key properties of N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide?
N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 431.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1077765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).