N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine

C21H20N6O2 — CID 46208939

IUPACN-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(Nc3ccc(Oc4nccnc4N4CCOCC4)cc3)nc2c1
InChIInChI=1S/C21H20N6O2/c1-2-4-18-17(3-1)25-21(26-18)24-15-5-7-16(8-6-15)29-20-19(22-9-10-23-20)27-11-13-28-14-12-27/h1-10H,11-14H2,(H2,24,25,26)
InChIKeyAYQCPWIILRLNBK-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.73
Rot. Bonds5

About N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine

N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine (PubChem CID 46208939) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine
PubChem CID46208939
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(Nc3ccc(Oc4nccnc4N4CCOCC4)cc3)nc2c1
InChIInChI=1S/C21H20N6O2/c1-2-4-18-17(3-1)25-21(26-18)24-15-5-7-16(8-6-15)29-20-19(22-9-10-23-20)27-11-13-28-14-12-27/h1-10H,11-14H2,(H2,24,25,26)
InChIKeyAYQCPWIILRLNBK-UHFFFAOYSA-N
XLogP3.73
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine (CID 46208939) is N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine is c1ccc2[nH]c(Nc3ccc(Oc4nccnc4N4CCOCC4)cc3)nc2c1.
What is the InChIKey of N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine?
The InChIKey is AYQCPWIILRLNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-2-4-18-17(3-1)25-21(26-18)24-15-5-7-16(8-6-15)29-20-19(22-9-10-23-20)27-11-13-28-14-12-27/h1-10H,11-14H2,(H2,24,25,26).
What are the key properties of N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine?
N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine has a molecular weight of 388.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 46208939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).