N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine

C15H11FN4O — CID 171810702

IUPACN-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCn1c(Nc2nc3ccccc3o2)nc2cc(F)ccc21
InChIInChI=1S/C15H11FN4O/c1-20-12-7-6-9(16)8-11(12)17-14(20)19-15-18-10-4-2-3-5-13(10)21-15/h2-8H,1H3,(H,17,18,19)
InChIKeyDPNZYEDDMLEAIZ-UHFFFAOYSA-N
MW282.28 g/mol
LogP3.60
Rot. Bonds2

About N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine

N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 171810702) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID171810702
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC NameN-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCn1c(Nc2nc3ccccc3o2)nc2cc(F)ccc21
InChIInChI=1S/C15H11FN4O/c1-20-12-7-6-9(16)8-11(12)17-14(20)19-15-18-10-4-2-3-5-13(10)21-15/h2-8H,1H3,(H,17,18,19)
InChIKeyDPNZYEDDMLEAIZ-UHFFFAOYSA-N
XLogP3.60
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine (CID 171810702) is N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine is Cn1c(Nc2nc3ccccc3o2)nc2cc(F)ccc21.
What is the InChIKey of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is DPNZYEDDMLEAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c1-20-12-7-6-9(16)8-11(12)17-14(20)19-15-18-10-4-2-3-5-13(10)21-15/h2-8H,1H3,(H,17,18,19).
What are the key properties of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 282.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 171810702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).