N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide

C22H26N4O2 — CID 17029087

IUPACN-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)Cn2c(CNC(=O)C(C)C)nc3ccccc32)cc1C
InChIInChI=1S/C22H26N4O2/c1-14(2)22(28)23-12-20-25-18-7-5-6-8-19(18)26(20)13-21(27)24-17-10-9-15(3)16(4)11-17/h5-11,14H,12-13H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyYXSPNAFCPHJUMS-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.56
Rot. Bonds6

About N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide

N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide (PubChem CID 17029087) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
PubChem CID17029087
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)Cn2c(CNC(=O)C(C)C)nc3ccccc32)cc1C
InChIInChI=1S/C22H26N4O2/c1-14(2)22(28)23-12-20-25-18-7-5-6-8-19(18)26(20)13-21(27)24-17-10-9-15(3)16(4)11-17/h5-11,14H,12-13H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyYXSPNAFCPHJUMS-UHFFFAOYSA-N
XLogP3.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029427
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 17031053
N-[3-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031470
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029056
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029366
N-(3,4-dimethylphenyl)-2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetamide
CID 17030051
N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029353

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide (CID 17029087) is N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide is Cc1ccc(NC(=O)Cn2c(CNC(=O)C(C)C)nc3ccccc32)cc1C.
What is the InChIKey of N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The InChIKey is YXSPNAFCPHJUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)22(28)23-12-20-25-18-7-5-6-8-19(18)26(20)13-21(27)24-17-10-9-15(3)16(4)11-17/h5-11,14H,12-13H2,1-4H3,(H,23,28)(H,24,27).
What are the key properties of N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide has a molecular weight of 378.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 17029087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).