(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine

C16H20N4O — CID 118880591

IUPAC(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
SMILESCN[C@H](CC(C)C)c1nc2ccc(-c3cnco3)cc2[nH]1
InChIInChI=1S/C16H20N4O/c1-10(2)6-14(17-3)16-19-12-5-4-11(7-13(12)20-16)15-8-18-9-21-15/h4-5,7-10,14,17H,6H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyFKLMZLGOHCQKDF-CQSZACIVSA-N
MW284.36 g/mol
LogP3.52
Rot. Bonds5

About (1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine

(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine (PubChem CID 118880591) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
PubChem CID118880591
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine
SMILESCN[C@H](CC(C)C)c1nc2ccc(-c3cnco3)cc2[nH]1
InChIInChI=1S/C16H20N4O/c1-10(2)6-14(17-3)16-19-12-5-4-11(7-13(12)20-16)15-8-18-9-21-15/h4-5,7-10,14,17H,6H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyFKLMZLGOHCQKDF-CQSZACIVSA-N
XLogP3.52
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine?
The IUPAC name of (1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine (CID 118880591) is (1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine.
What is the SMILES notation for (1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine?
The canonical SMILES for (1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine is CN[C@H](CC(C)C)c1nc2ccc(-c3cnco3)cc2[nH]1.
What is the InChIKey of (1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine?
The InChIKey is FKLMZLGOHCQKDF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(2)6-14(17-3)16-19-12-5-4-11(7-13(12)20-16)15-8-18-9-21-15/h4-5,7-10,14,17H,6H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine?
(1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine has a molecular weight of 284.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,3-dimethyl-1-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]butan-1-amine is sourced from PubChem (CID 118880591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).