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

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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).