N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide

C24H30N4O2 — CID 55340414

IUPACN-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NCCCn1c(C)nc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-4-17(2)22(27-23(29)19-11-6-5-7-12-19)24(30)25-15-10-16-28-18(3)26-20-13-8-9-14-21(20)28/h5-9,11-14,17,22H,4,10,15-16H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyWCZOENOFOHXCDK-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.70
Rot. Bonds9

About N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide

N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide (PubChem CID 55340414) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide
PubChem CID55340414
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NCCCn1c(C)nc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-4-17(2)22(27-23(29)19-11-6-5-7-12-19)24(30)25-15-10-16-28-18(3)26-20-13-8-9-14-21(20)28/h5-9,11-14,17,22H,4,10,15-16H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyWCZOENOFOHXCDK-UHFFFAOYSA-N
XLogP3.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.70
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-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide
CID 111353072
N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide
CID 37394224
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111353071
1-(1-hydroxybutan-2-yl)-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 110894452
N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide
CID 55628913
N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51221826
N-butan-2-yl-4-[[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111352191
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55634219
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
2-(2-bromo-4-methylphenoxy)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 55794081
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide
CID 55794237

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide (CID 55340414) is N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)NCCCn1c(C)nc2ccccc21.
What is the InChIKey of N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide?
The InChIKey is WCZOENOFOHXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-17(2)22(27-23(29)19-11-6-5-7-12-19)24(30)25-15-10-16-28-18(3)26-20-13-8-9-14-21(20)28/h5-9,11-14,17,22H,4,10,15-16H2,1-3H3,(H,25,30)(H,27,29).
What are the key properties of N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide?
N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55340414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).