N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide

C28H30N4O3 — CID 46688043

IUPACN-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
SMILESCCCn1c(=O)n(CC(=O)N(C)C(C)c2cccc(NC(=O)c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C28H30N4O3/c1-4-17-31-24-15-8-9-16-25(24)32(28(31)35)19-26(33)30(3)20(2)22-13-10-14-23(18-22)29-27(34)21-11-6-5-7-12-21/h5-16,18,20H,4,17,19H2,1-3H3,(H,29,34)
InChIKeyOLNGSZGNJGQNIG-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.68
Rot. Bonds8

About N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide

N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide (PubChem CID 46688043) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
PubChem CID46688043
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
SMILESCCCn1c(=O)n(CC(=O)N(C)C(C)c2cccc(NC(=O)c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C28H30N4O3/c1-4-17-31-24-15-8-9-16-25(24)32(28(31)35)19-26(33)30(3)20(2)22-13-10-14-23(18-22)29-27(34)21-11-6-5-7-12-21/h5-16,18,20H,4,17,19H2,1-3H3,(H,29,34)
InChIKeyOLNGSZGNJGQNIG-UHFFFAOYSA-N
XLogP4.68
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(1R)-1-[[2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]-methylamino]ethyl]phenyl]benzamide
CID 51728404
N-[3-[1-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]ethyl]phenyl]benzamide
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4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
N-[3-[1-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 24647786
N-[3-[1-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]ethyl]phenyl]benzamide
CID 46533516
N-[3-[1-[methyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 24655533
N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide
CID 46537955
N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 60571275
N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide
CID 34215372
N-[3-[1-[4-(4-methoxyphenoxy)butanoyl-methylamino]ethyl]phenyl]benzamide
CID 46533483
N-[3-[(1S)-1-[cyclopentanecarbonyl(methyl)amino]ethyl]phenyl]benzamide
CID 51930710
N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide
CID 42896336

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide (CID 46688043) is N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide is CCCn1c(=O)n(CC(=O)N(C)C(C)c2cccc(NC(=O)c3ccccc3)c2)c2ccccc21.
What is the InChIKey of N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide?
The InChIKey is OLNGSZGNJGQNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-4-17-31-24-15-8-9-16-25(24)32(28(31)35)19-26(33)30(3)20(2)22-13-10-14-23(18-22)29-27(34)21-11-6-5-7-12-21/h5-16,18,20H,4,17,19H2,1-3H3,(H,29,34).
What are the key properties of N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide?
N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 46688043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).