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

C19H21N3O3 — CID 110773200

IUPACN-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc3c(c2)nc(C)n3C)cc1OC
InChIInChI=1S/C19H21N3O3/c1-12-20-15-9-13(5-7-16(15)22(12)2)10-19(23)21-14-6-8-17(24-3)18(11-14)25-4/h5-9,11H,10H2,1-4H3,(H,21,23)
InChIKeyOXZJRCJHTXCPCV-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.08
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide (PubChem CID 110773200) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
PubChem CID110773200
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc3c(c2)nc(C)n3C)cc1OC
InChIInChI=1S/C19H21N3O3/c1-12-20-15-9-13(5-7-16(15)22(12)2)10-19(23)21-14-6-8-17(24-3)18(11-14)25-4/h5-9,11H,10H2,1-4H3,(H,21,23)
InChIKeyOXZJRCJHTXCPCV-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176
3-(3,4-dimethoxyphenyl)-N-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanamide
CID 112527531
2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide
CID 110773214
2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110779237
N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112527544
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142041
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
2-(1,2-dimethylbenzimidazol-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110773212
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide (CID 110773200) is N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide is COc1ccc(NC(=O)Cc2ccc3c(c2)nc(C)n3C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The InChIKey is OXZJRCJHTXCPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-20-15-9-13(5-7-16(15)22(12)2)10-19(23)21-14-6-8-17(24-3)18(11-14)25-4/h5-9,11H,10H2,1-4H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110773200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).