N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide

C19H19N3O2 — CID 90145481

IUPACN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-12-3-9-16-17(11-12)22-19(21-16)14-5-7-15(8-6-14)20-18(24)10-4-13(2)23/h3,5-9,11H,4,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyAYYMSBFEUGQKKW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.85
Rot. Bonds5

About N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide (PubChem CID 90145481) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
PubChem CID90145481
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-12-3-9-16-17(11-12)22-19(21-16)14-5-7-15(8-6-14)20-18(24)10-4-13(2)23/h3,5-9,11H,4,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyAYYMSBFEUGQKKW-UHFFFAOYSA-N
XLogP3.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide 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-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide
CID 146021518
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide
CID 142813057
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride
CID 146052827
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide?
The IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide (CID 90145481) is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide.
What is the SMILES notation for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide?
The canonical SMILES for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide is CC(=O)CCC(=O)Nc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide?
The InChIKey is AYYMSBFEUGQKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-3-9-16-17(11-12)22-19(21-16)14-5-7-15(8-6-14)20-18(24)10-4-13(2)23/h3,5-9,11H,4,10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide?
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide has a molecular weight of 321.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide is sourced from PubChem (CID 90145481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).