2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

C27H28N4O2 — CID 17031446

IUPAC2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1ccccc1NC(=O)Cn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C27H28N4O2/c1-19-10-3-5-12-21(19)27(33)28-17-9-16-25-29-23-14-7-8-15-24(23)31(25)18-26(32)30-22-13-6-4-11-20(22)2/h3-8,10-15H,9,16-18H2,1-2H3,(H,28,33)(H,30,32)
InChIKeyUGSJAWPOMOJPMK-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.65
Rot. Bonds8

About 2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 17031446) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID17031446
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1ccccc1NC(=O)Cn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C27H28N4O2/c1-19-10-3-5-12-21(19)27(33)28-17-9-16-25-29-23-14-7-8-15-24(23)31(25)18-26(32)30-22-13-6-4-11-20(22)2/h3-8,10-15H,9,16-18H2,1-2H3,(H,28,33)(H,30,32)
InChIKeyUGSJAWPOMOJPMK-UHFFFAOYSA-N
XLogP4.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031470
N-[3-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031461
2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031451
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
2-methyl-N-[3-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031456
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982471
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17030975
N-[2-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030725
propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
CID 16982493
2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030738
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (CID 17031446) is 2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is Cc1ccccc1NC(=O)Cn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is UGSJAWPOMOJPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19-10-3-5-12-21(19)27(33)28-17-9-16-25-29-23-14-7-8-15-24(23)31(25)18-26(32)30-22-13-6-4-11-20(22)2/h3-8,10-15H,9,16-18H2,1-2H3,(H,28,33)(H,30,32).
What are the key properties of 2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 440.55 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 17031446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).