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

C27H28N4O2 — CID 17031451

IUPAC2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1cccc(NC(=O)Cn2c(CCCNC(=O)c3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C27H28N4O2/c1-19-9-7-11-21(17-19)29-26(32)18-31-24-14-6-5-13-23(24)30-25(31)15-8-16-28-27(33)22-12-4-3-10-20(22)2/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,28,33)(H,29,32)
InChIKeySQLRNLDJZDLSOS-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.65
Rot. Bonds8

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

2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 17031451) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID17031451
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1cccc(NC(=O)Cn2c(CCCNC(=O)c3ccccc3C)nc3ccccc32)c1
InChIInChI=1S/C27H28N4O2/c1-19-9-7-11-21(17-19)29-26(32)18-31-24-14-6-5-13-23(24)30-25(31)15-8-16-28-27(33)22-12-4-3-10-20(22)2/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,28,33)(H,29,32)
InChIKeySQLRNLDJZDLSOS-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
2-methyl-N-[3-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031456
N-[3-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031461
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
N-[2-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030725
2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031501
2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031504
N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031599
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360
N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029353
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (CID 17031451) is 2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is Cc1cccc(NC(=O)Cn2c(CCCNC(=O)c3ccccc3C)nc3ccccc32)c1.
What is the InChIKey of 2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is SQLRNLDJZDLSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19-9-7-11-21(17-19)29-26(32)18-31-24-14-6-5-13-23(24)30-25(31)15-8-16-28-27(33)22-12-4-3-10-20(22)2/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of 2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
2-methyl-N-[3-[1-[2-(3-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-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 17031451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).