2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide

C24H32N4O2 — CID 25220954

IUPAC2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide
SMILESCCCCOc1nc(C(C)(C)C)ccc1CNC(=O)C(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H32N4O2/c1-6-7-12-30-23-18(9-11-21(28-23)24(3,4)5)14-25-22(29)16(2)17-8-10-19-20(13-17)27-15-26-19/h8-11,13,15-16H,6-7,12,14H2,1-5H3,(H,25,29)(H,26,27)
InChIKeyBYWYNUUFRIWUIF-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.85
Rot. Bonds8

About 2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide

2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide (PubChem CID 25220954) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide
PubChem CID25220954
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide
SMILESCCCCOc1nc(C(C)(C)C)ccc1CNC(=O)C(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H32N4O2/c1-6-7-12-30-23-18(9-11-21(28-23)24(3,4)5)14-25-22(29)16(2)17-8-10-19-20(13-17)27-15-26-19/h8-11,13,15-16H,6-7,12,14H2,1-5H3,(H,25,29)(H,26,27)
InChIKeyBYWYNUUFRIWUIF-UHFFFAOYSA-N
XLogP4.85
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)-3-methoxyphenyl]-N-[[2-butoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 86679945
2-butoxy-3-[[2-[3-methyl-4-[methyl(sulfino)amino]phenyl]propanoylamino]methyl]-6-(trifluoromethyl)pyridine
CID 174556965
N-[[6-tert-butyl-2-(3-methylbutoxy)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 67441632
N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 67440314
(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 126829299
3-[[2-[3-fluoro-4-[methyl(sulfinato)amino]phenyl]propanoylamino]methyl]-2-nonan-5-yloxy-6-(trifluoromethyl)pyridine
CID 174571711
octyl 3H-benzimidazole-5-carboxylate
CID 149159122
N-[(6-tert-butyl-2-cyclohexylsulfanyl-3-pyridinyl)methyl]-2-(2,3-dihydro-1H-benzotriazol-5-yl)propanamide
CID 145493014
N-[[2-butoxy-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfinamido)phenyl]propanamide
CID 141331971
3-[[2-[3-fluoro-4-[methyl(sulfino)amino]phenyl]propanoylamino]methyl]-2-(2-methylpropoxy)-6-(trifluoromethyl)pyridine
CID 174571815
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 96741805
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide (CID 25220954) is 2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide is CCCCOc1nc(C(C)(C)C)ccc1CNC(=O)C(C)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide?
The InChIKey is BYWYNUUFRIWUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-6-7-12-30-23-18(9-11-21(28-23)24(3,4)5)14-25-22(29)16(2)17-8-10-19-20(13-17)27-15-26-19/h8-11,13,15-16H,6-7,12,14H2,1-5H3,(H,25,29)(H,26,27).
What are the key properties of 2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide?
2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide has a molecular weight of 408.55 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-N-[(2-butoxy-6-tert-butyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 25220954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).