N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine

C20H20FN5O2 — CID 171810701

IUPACN-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine
SMILESCn1c(Nc2nc3cc(CN4CCOCC4)ccc3o2)nc2cc(F)ccc21
InChIInChI=1S/C20H20FN5O2/c1-25-17-4-3-14(21)11-15(17)22-19(25)24-20-23-16-10-13(2-5-18(16)28-20)12-26-6-8-27-9-7-26/h2-5,10-11H,6-9,12H2,1H3,(H,22,23,24)
InChIKeyOWMOJCINIBLLPV-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.43
Rot. Bonds4

About N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine

N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine (PubChem CID 171810701) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine
PubChem CID171810701
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine
SMILESCn1c(Nc2nc3cc(CN4CCOCC4)ccc3o2)nc2cc(F)ccc21
InChIInChI=1S/C20H20FN5O2/c1-25-17-4-3-14(21)11-15(17)22-19(25)24-20-23-16-10-13(2-5-18(16)28-20)12-26-6-8-27-9-7-26/h2-5,10-11H,6-9,12H2,1H3,(H,22,23,24)
InChIKeyOWMOJCINIBLLPV-UHFFFAOYSA-N
XLogP3.43
TPSA68.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine (CID 171810701) is N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine is Cn1c(Nc2nc3cc(CN4CCOCC4)ccc3o2)nc2cc(F)ccc21.
What is the InChIKey of N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine?
The InChIKey is OWMOJCINIBLLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-25-17-4-3-14(21)11-15(17)22-19(25)24-20-23-16-10-13(2-5-18(16)28-20)12-26-6-8-27-9-7-26/h2-5,10-11H,6-9,12H2,1H3,(H,22,23,24).
What are the key properties of N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine?
N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine has a molecular weight of 381.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 171810701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).