N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide

C28H36N6O2 — CID 156704755

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide
SMILESCN(C)CCCN(C)c1ccc2c(c1)ncn2-c1ccc(CC(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C28H36N6O2/c1-28(2,3)25-18-27(36-31-25)30-26(35)16-20-8-10-21(11-9-20)34-19-29-23-17-22(12-13-24(23)34)33(6)15-7-14-32(4)5/h8-13,17-19H,7,14-16H2,1-6H3,(H,30,35)
InChIKeyCWLZIWHNOUNZPL-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.88
Rot. Bonds9

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide (PubChem CID 156704755) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide
PubChem CID156704755
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide
SMILESCN(C)CCCN(C)c1ccc2c(c1)ncn2-c1ccc(CC(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C28H36N6O2/c1-28(2,3)25-18-27(36-31-25)30-26(35)16-20-8-10-21(11-9-20)34-19-29-23-17-22(12-13-24(23)34)33(6)15-7-14-32(4)5/h8-13,17-19H,7,14-16H2,1-6H3,(H,30,35)
InChIKeyCWLZIWHNOUNZPL-UHFFFAOYSA-N
XLogP4.88
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide (CID 156704755) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide is CN(C)CCCN(C)c1ccc2c(c1)ncn2-c1ccc(CC(=O)Nc2cc(C(C)(C)C)no2)cc1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide?
The InChIKey is CWLZIWHNOUNZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-28(2,3)25-18-27(36-31-25)30-26(35)16-20-8-10-21(11-9-20)34-19-29-23-17-22(12-13-24(23)34)33(6)15-7-14-32(4)5/h8-13,17-19H,7,14-16H2,1-6H3,(H,30,35).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide has a molecular weight of 488.64 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 156704755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).