N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

C25H26N4O — CID 16963769

IUPACN-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(Cn2c(C(C)NC(=O)c3cccnc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H26N4O/c1-16-12-17(2)21(18(3)13-16)15-29-23-10-6-5-9-22(23)28-24(29)19(4)27-25(30)20-8-7-11-26-14-20/h5-14,19H,15H2,1-4H3,(H,27,30)
InChIKeyPSWGRUJPJXGESG-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.90
Rot. Bonds5

About N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 16963769) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID16963769
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(Cn2c(C(C)NC(=O)c3cccnc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H26N4O/c1-16-12-17(2)21(18(3)13-16)15-29-23-10-6-5-9-22(23)28-24(29)19(4)27-25(30)20-8-7-11-26-14-20/h5-14,19H,15H2,1-4H3,(H,27,30)
InChIKeyPSWGRUJPJXGESG-UHFFFAOYSA-N
XLogP4.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963863
ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16963894
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963819
N-[1-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963822
N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963792
N-[1-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963861
2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972690
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967031
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963799
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963892
2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16969327

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (CID 16963769) is N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is Cc1cc(C)c(Cn2c(C(C)NC(=O)c3cccnc3)nc3ccccc32)c(C)c1.
What is the InChIKey of N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is PSWGRUJPJXGESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-16-12-17(2)21(18(3)13-16)15-29-23-10-6-5-9-22(23)28-24(29)19(4)27-25(30)20-8-7-11-26-14-20/h5-14,19H,15H2,1-4H3,(H,27,30).
What are the key properties of N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16963769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).