3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide

C21H25N3O3 — CID 112527531

IUPAC3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide
SMILESCOc1ccc(CC(C)C(=O)Nc2ccc3c(c2)nc(C)n3C)cc1OC
InChIInChI=1S/C21H25N3O3/c1-13(10-15-6-9-19(26-4)20(11-15)27-5)21(25)23-16-7-8-18-17(12-16)22-14(2)24(18)3/h6-9,11-13H,10H2,1-5H3,(H,23,25)
InChIKeyKTPWFNGSBLJIHB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.72
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide

3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide (PubChem CID 112527531) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide
PubChem CID112527531
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide
SMILESCOc1ccc(CC(C)C(=O)Nc2ccc3c(c2)nc(C)n3C)cc1OC
InChIInChI=1S/C21H25N3O3/c1-13(10-15-6-9-19(26-4)20(11-15)27-5)21(25)23-16-7-8-18-17(12-16)22-14(2)24(18)3/h6-9,11-13H,10H2,1-5H3,(H,23,25)
InChIKeyKTPWFNGSBLJIHB-UHFFFAOYSA-N
XLogP3.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773200
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
3-(3,4-dimethoxyphenyl)-N-(4-hydroxy-2-methylphenyl)-2-methylpropanamide
CID 84575925
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
CID 115232706
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110476504
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 112527043
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166
N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112527544

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide (CID 112527531) is 3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide is COc1ccc(CC(C)C(=O)Nc2ccc3c(c2)nc(C)n3C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide?
The InChIKey is KTPWFNGSBLJIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13(10-15-6-9-19(26-4)20(11-15)27-5)21(25)23-16-7-8-18-17(12-16)22-14(2)24(18)3/h6-9,11-13H,10H2,1-5H3,(H,23,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide?
3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide has a molecular weight of 367.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 112527531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).