N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide

C20H22N4O2 — CID 645626

IUPACN-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C20H22N4O2/c1-13-9-18-19(10-14(13)2)24(12-21-18)8-7-20(26)23-17-6-4-5-16(11-17)22-15(3)25/h4-6,9-12H,7-8H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyZDYSMTNJGQAFSL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.64
Rot. Bonds5

About N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide

N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide (PubChem CID 645626) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide
PubChem CID645626
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C20H22N4O2/c1-13-9-18-19(10-14(13)2)24(12-21-18)8-7-20(26)23-17-6-4-5-16(11-17)22-15(3)25/h4-6,9-12H,7-8H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyZDYSMTNJGQAFSL-UHFFFAOYSA-N
XLogP3.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide (CID 645626) is N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide is CC(=O)Nc1cccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide?
The InChIKey is ZDYSMTNJGQAFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-9-18-19(10-14(13)2)24(12-21-18)8-7-20(26)23-17-6-4-5-16(11-17)22-15(3)25/h4-6,9-12H,7-8H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide?
N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(5,6-dimethylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 645626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).