N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide

C19H17N3O3 — CID 11544556

IUPACN-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide
SMILESC#Cc1cccc2ncn(CC(=O)Nc3cc(OC)cc(OC)c3)c12
InChIInChI=1S/C19H17N3O3/c1-4-13-6-5-7-17-19(13)22(12-20-17)11-18(23)21-14-8-15(24-2)10-16(9-14)25-3/h1,5-10,12H,11H2,2-3H3,(H,21,23)
InChIKeyCGYRUTVPKIGESW-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.67
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide (PubChem CID 11544556) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide
PubChem CID11544556
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide
SMILESC#Cc1cccc2ncn(CC(=O)Nc3cc(OC)cc(OC)c3)c12
InChIInChI=1S/C19H17N3O3/c1-4-13-6-5-7-17-19(13)22(12-20-17)11-18(23)21-14-8-15(24-2)10-16(9-14)25-3/h1,5-10,12H,11H2,2-3H3,(H,21,23)
InChIKeyCGYRUTVPKIGESW-UHFFFAOYSA-N
XLogP2.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)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

2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 11440680
3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide
CID 11588709
2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide
CID 69264751
3-[2-[3-methoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 69054095
N-[3,5-bis(2-ethoxyethoxy)phenyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 69264166
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 11393876
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086660
1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(3-methoxyphenyl)thiourea
CID 8659494
N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821989
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide (CID 11544556) is N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide is C#Cc1cccc2ncn(CC(=O)Nc3cc(OC)cc(OC)c3)c12.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide?
The InChIKey is CGYRUTVPKIGESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-4-13-6-5-7-17-19(13)22(12-20-17)11-18(23)21-14-8-15(24-2)10-16(9-14)25-3/h1,5-10,12H,11H2,2-3H3,(H,21,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 11544556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).