N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C16H20N4O — CID 62447391

IUPACN-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(Cn2cnc3cc(C)c(C)cc32)on1
InChIInChI=1S/C16H20N4O/c1-4-17-8-13-7-14(21-19-13)9-20-10-18-15-5-11(2)12(3)6-16(15)20/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyKFILMWUCKOUKNN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.80
Rot. Bonds5

About N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62447391) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62447391
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(Cn2cnc3cc(C)c(C)cc32)on1
InChIInChI=1S/C16H20N4O/c1-4-17-8-13-7-14(21-19-13)9-20-10-18-15-5-11(2)12(3)6-16(15)20/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyKFILMWUCKOUKNN-UHFFFAOYSA-N
XLogP2.80
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 62447391) is N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(Cn2cnc3cc(C)c(C)cc32)on1.
What is the InChIKey of N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is KFILMWUCKOUKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-17-8-13-7-14(21-19-13)9-20-10-18-15-5-11(2)12(3)6-16(15)20/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 284.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62447391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).