3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C26H27N3O3 — CID 17009968

IUPAC3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C26H27N3O3/c1-17-9-11-19(12-10-17)16-29-22-8-6-5-7-21(22)28-25(29)18(2)27-26(30)20-13-14-23(31-3)24(15-20)32-4/h5-15,18H,16H2,1-4H3,(H,27,30)
InChIKeyOZLMECLEMGSFLI-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.90
Rot. Bonds7

About 3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009968) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17009968
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C26H27N3O3/c1-17-9-11-19(12-10-17)16-29-22-8-6-5-7-21(22)28-25(29)18(2)27-26(30)20-13-14-23(31-3)24(15-20)32-4/h5-15,18H,16H2,1-4H3,(H,27,30)
InChIKeyOZLMECLEMGSFLI-UHFFFAOYSA-N
XLogP4.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010037
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 17009932
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010283
3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010126
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967041
3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990932
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268
3,4,5-trimethoxy-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009864

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 17009968) is 3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is COc1ccc(C(=O)NC(C)c2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is OZLMECLEMGSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-9-11-19(12-10-17)16-29-22-8-6-5-7-21(22)28-25(29)18(2)27-26(30)20-13-14-23(31-3)24(15-20)32-4/h5-15,18H,16H2,1-4H3,(H,27,30).
What are the key properties of 3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).