1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine

C18H16N4O — CID 155565815

IUPAC1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESc1ccc(Cn2c(NCc3cnco3)nc3ccccc32)cc1
InChIInChI=1S/C18H16N4O/c1-2-6-14(7-3-1)12-22-17-9-5-4-8-16(17)21-18(22)20-11-15-10-19-13-23-15/h1-10,13H,11-12H2,(H,20,21)
InChIKeyZYMKFPXGCOBXRU-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.68
Rot. Bonds5

About 1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine

1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine (PubChem CID 155565815) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine
PubChem CID155565815
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESc1ccc(Cn2c(NCc3cnco3)nc3ccccc32)cc1
InChIInChI=1S/C18H16N4O/c1-2-6-14(7-3-1)12-22-17-9-5-4-8-16(17)21-18(22)20-11-15-10-19-13-23-15/h1-10,13H,11-12H2,(H,20,21)
InChIKeyZYMKFPXGCOBXRU-UHFFFAOYSA-N
XLogP3.68
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine (CID 155565815) is 1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine is c1ccc(Cn2c(NCc3cnco3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine?
The InChIKey is ZYMKFPXGCOBXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-6-14(7-3-1)12-22-17-9-5-4-8-16(17)21-18(22)20-11-15-10-19-13-23-15/h1-10,13H,11-12H2,(H,20,21).
What are the key properties of 1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine?
1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine has a molecular weight of 304.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 155565815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).