1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone

C18H11ClN4O2 — CID 46207940

IUPAC1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H11ClN4O2/c19-16-18(21-10-9-20-16)25-12-7-5-11(6-8-12)15(24)17-22-13-3-1-2-4-14(13)23-17/h1-10H,(H,22,23)
InChIKeyJNPBJEDWNUKIQL-UHFFFAOYSA-N
MW350.77 g/mol
LogP4.03
Rot. Bonds4

About 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone

1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone (PubChem CID 46207940) has the molecular formula C18H11ClN4O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone
PubChem CID46207940
Molecular FormulaC18H11ClN4O2
Molecular Weight350.77 g/mol
Exact Mass350.06
IUPAC Name1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H11ClN4O2/c19-16-18(21-10-9-20-16)25-12-7-5-11(6-8-12)15(24)17-22-13-3-1-2-4-14(13)23-17/h1-10H,(H,22,23)
InChIKeyJNPBJEDWNUKIQL-UHFFFAOYSA-N
XLogP4.03
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone (CID 46207940) is 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone?
The InChIKey is JNPBJEDWNUKIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O2/c19-16-18(21-10-9-20-16)25-12-7-5-11(6-8-12)15(24)17-22-13-3-1-2-4-14(13)23-17/h1-10H,(H,22,23).
What are the key properties of 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone has a molecular weight of 350.77 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanone is sourced from PubChem (CID 46207940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).