N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide

C22H27N3O — CID 53382973

IUPACN-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide
SMILESCCC(C(=O)NC(C)(C)C)n1c(-c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-6-18(21(26)24-22(3,4)5)25-19-10-8-7-9-17(19)23-20(25)16-13-11-15(2)12-14-16/h7-14,18H,6H2,1-5H3,(H,24,26)
InChIKeyZVCYASCNHHPZIT-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.88
Rot. Bonds4

About N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide

N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide (PubChem CID 53382973) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide
PubChem CID53382973
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide
SMILESCCC(C(=O)NC(C)(C)C)n1c(-c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-6-18(21(26)24-22(3,4)5)25-19-10-8-7-9-17(19)23-20(25)16-13-11-15(2)12-14-16/h7-14,18H,6H2,1-5H3,(H,24,26)
InChIKeyZVCYASCNHHPZIT-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide?
The IUPAC name of N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide (CID 53382973) is N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide.
What is the SMILES notation for N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide?
The canonical SMILES for N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide is CCC(C(=O)NC(C)(C)C)n1c(-c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide?
The InChIKey is ZVCYASCNHHPZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-6-18(21(26)24-22(3,4)5)25-19-10-8-7-9-17(19)23-20(25)16-13-11-15(2)12-14-16/h7-14,18H,6H2,1-5H3,(H,24,26).
What are the key properties of N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide?
N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide has a molecular weight of 349.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]butanamide is sourced from PubChem (CID 53382973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).