3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide

C18H20N4O — CID 131919105

IUPAC3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide
SMILESCc1cc(CNC(=O)CCn2cnc3ccccc32)cnc1C
InChIInChI=1S/C18H20N4O/c1-13-9-15(10-19-14(13)2)11-20-18(23)7-8-22-12-21-16-5-3-4-6-17(16)22/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,23)
InChIKeyQLJNSCMKZWDFNI-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.75
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide

3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide (PubChem CID 131919105) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide
PubChem CID131919105
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide
SMILESCc1cc(CNC(=O)CCn2cnc3ccccc32)cnc1C
InChIInChI=1S/C18H20N4O/c1-13-9-15(10-19-14(13)2)11-20-18(23)7-8-22-12-21-16-5-3-4-6-17(16)22/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,23)
InChIKeyQLJNSCMKZWDFNI-UHFFFAOYSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide (CID 131919105) is 3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide is Cc1cc(CNC(=O)CCn2cnc3ccccc32)cnc1C.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide?
The InChIKey is QLJNSCMKZWDFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-9-15(10-19-14(13)2)11-20-18(23)7-8-22-12-21-16-5-3-4-6-17(16)22/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,23).
What are the key properties of 3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide?
3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide has a molecular weight of 308.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 131919105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).