3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide

C19H22N4O2 — CID 49354275

IUPAC3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide
SMILESCOc1c(C)cnc(CNC(=O)CCc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C19H22N4O2/c1-12-10-20-16(13(2)19(12)25-3)11-21-18(24)9-8-17-22-14-6-4-5-7-15(14)23-17/h4-7,10H,8-9,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyHWGDOEKJVBWOLK-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.83
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide (PubChem CID 49354275) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide
PubChem CID49354275
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide
SMILESCOc1c(C)cnc(CNC(=O)CCc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C19H22N4O2/c1-12-10-20-16(13(2)19(12)25-3)11-21-18(24)9-8-17-22-14-6-4-5-7-15(14)23-17/h4-7,10H,8-9,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyHWGDOEKJVBWOLK-UHFFFAOYSA-N
XLogP2.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide with MolForge

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Related Compounds

Rabeprazole-thioether
CID 9949996
2-[[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
CID 9948797
3-ethyl-1-[6-methoxy-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365988
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
(E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(4-methoxy-phenyl)-acrylamide
CID 674471
2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-phenyl-1H-imidazo[4,5-b]pyridine
CID 10149857
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 10171540
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102
2-(4-(2-(2-methoxypyridin-3-yl)-1H-benzo[d]imidazol-5-yl)piperidin-1-yl)-N-methylethanamine
CID 11848210
(S)-3-(dimethylamino)-N-(1-(5-(4-methoxyquinolin-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)propanamide
CID 44158080
2-(3-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766676
2-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766728

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide (CID 49354275) is 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide is COc1c(C)cnc(CNC(=O)CCc2nc3ccccc3[nH]2)c1C.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide?
The InChIKey is HWGDOEKJVBWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-10-20-16(13(2)19(12)25-3)11-21-18(24)9-8-17-22-14-6-4-5-7-15(14)23-17/h4-7,10H,8-9,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 49354275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).