N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide

C22H20N4O3 — CID 134004746

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-28-19-9-7-15(11-20(19)29-2)12-22(27)25-16-8-10-21(23-13-16)26-14-24-17-5-3-4-6-18(17)26/h3-11,13-14H,12H2,1-2H3,(H,25,27)
InChIKeyABENPIULWHJBEE-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.62
Rot. Bonds6

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 134004746) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID134004746
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-28-19-9-7-15(11-20(19)29-2)12-22(27)25-16-8-10-21(23-13-16)26-14-24-17-5-3-4-6-18(17)26/h3-11,13-14H,12H2,1-2H3,(H,25,27)
InChIKeyABENPIULWHJBEE-UHFFFAOYSA-N
XLogP3.62
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide 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-[6-(azepan-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113015910
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746
2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 11718243
2-(4-acetylphenoxy)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]acetamide
CID 134004763
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
N-[6-(diethylamino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113014574
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea
CID 154805885
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide
CID 56532152
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51935910

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 134004746) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1OC.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ABENPIULWHJBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-19-9-7-15(11-20(19)29-2)12-22(27)25-16-8-10-21(23-13-16)26-14-24-17-5-3-4-6-18(17)26/h3-11,13-14H,12H2,1-2H3,(H,25,27).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 134004746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).