N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide

C25H26N4O — CID 110630505

IUPACN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide
SMILESCc1nc2ccccc2n1CCCNC(=O)C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C25H26N4O/c1-19-28-23-13-5-6-14-24(23)29(19)17-9-16-27-25(30)22(20-10-3-2-4-11-20)18-21-12-7-8-15-26-21/h2-8,10-15,22H,9,16-18H2,1H3,(H,27,30)
InChIKeyYOYLYDRDKNBOCN-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.27
Rot. Bonds8

About N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide (PubChem CID 110630505) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide
PubChem CID110630505
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide
SMILESCc1nc2ccccc2n1CCCNC(=O)C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C25H26N4O/c1-19-28-23-13-5-6-14-24(23)29(19)17-9-16-27-25(30)22(20-10-3-2-4-11-20)18-21-12-7-8-15-26-21/h2-8,10-15,22H,9,16-18H2,1H3,(H,27,30)
InChIKeyYOYLYDRDKNBOCN-UHFFFAOYSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110630506
1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886147
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 111618398
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-phenylcyclopropane-1-carboxamide
CID 134036894
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344
N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide
CID 55340414
2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 110309383
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
1-(1-hydroxybutan-2-yl)-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 110894452

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide (CID 110630505) is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide is Cc1nc2ccccc2n1CCCNC(=O)C(Cc1ccccn1)c1ccccc1.
What is the InChIKey of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide?
The InChIKey is YOYLYDRDKNBOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-19-28-23-13-5-6-14-24(23)29(19)17-9-16-27-25(30)22(20-10-3-2-4-11-20)18-21-12-7-8-15-26-21/h2-8,10-15,22H,9,16-18H2,1H3,(H,27,30).
What are the key properties of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide?
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide has a molecular weight of 398.51 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 110630505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).