2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine

C24H28N4O — CID 127035170

IUPAC2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccccc1)n2CCN(C)C
InChIInChI=1S/C24H28N4O/c1-17-24(18(2)29-26-17)20-11-12-22-21(16-20)25-23(28(22)15-14-27(3)4)13-10-19-8-6-5-7-9-19/h5-9,11-12,16H,10,13-15H2,1-4H3
InChIKeyMFOVYBXXVYKFSF-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.65
Rot. Bonds7

About 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine

2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 127035170) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
PubChem CID127035170
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccccc1)n2CCN(C)C
InChIInChI=1S/C24H28N4O/c1-17-24(18(2)29-26-17)20-11-12-22-21(16-20)25-23(28(22)15-14-27(3)4)13-10-19-8-6-5-7-9-19/h5-9,11-12,16H,10,13-15H2,1-4H3
InChIKeyMFOVYBXXVYKFSF-UHFFFAOYSA-N
XLogP4.65
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine (CID 127035170) is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine is Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccccc1)n2CCN(C)C.
What is the InChIKey of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is MFOVYBXXVYKFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-24(18(2)29-26-17)20-11-12-22-21(16-20)25-23(28(22)15-14-27(3)4)13-10-19-8-6-5-7-9-19/h5-9,11-12,16H,10,13-15H2,1-4H3.
What are the key properties of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine?
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 388.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 127035170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).