N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide

C22H26N4O2 — CID 17028988

IUPACN-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C22H26N4O2/c1-4-7-21(27)23-13-20-25-18-8-5-6-9-19(18)26(20)14-22(28)24-17-11-15(2)10-16(3)12-17/h5-6,8-12H,4,7,13-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyDINZXVPHNBDSSF-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.71
Rot. Bonds7

About N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide

N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide (PubChem CID 17028988) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
PubChem CID17028988
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C22H26N4O2/c1-4-7-21(27)23-13-20-25-18-8-5-6-9-19(18)26(20)14-22(28)24-17-11-15(2)10-16(3)12-17/h5-6,8-12H,4,7,13-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyDINZXVPHNBDSSF-UHFFFAOYSA-N
XLogP3.71
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide 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-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028982
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028969
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030383
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028956
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032560
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031125
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030392
N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029087
2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029366

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
The IUPAC name of N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide (CID 17028988) is N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide is CCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
The InChIKey is DINZXVPHNBDSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-7-21(27)23-13-20-25-18-8-5-6-9-19(18)26(20)14-22(28)24-17-11-15(2)10-16(3)12-17/h5-6,8-12H,4,7,13-14H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide has a molecular weight of 378.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 17028988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).