[4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone

C18H10ClFN4O2 — CID 46207941

IUPAC[4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H10ClFN4O2/c19-16-18(22-8-7-21-16)26-12-4-1-10(2-5-12)15(25)17-23-13-6-3-11(20)9-14(13)24-17/h1-9H,(H,23,24)
InChIKeyJASCRWQJWADYOW-UHFFFAOYSA-N
MW368.76 g/mol
LogP4.17
Rot. Bonds4

About [4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone

[4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone (PubChem CID 46207941) has the molecular formula C18H10ClFN4O2 and a molecular weight of 368.76 g/mol. Its IUPAC name is [4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
PubChem CID46207941
Molecular FormulaC18H10ClFN4O2
Molecular Weight368.76 g/mol
Exact Mass368.05
IUPAC Name[4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H10ClFN4O2/c19-16-18(22-8-7-21-16)26-12-4-1-10(2-5-12)15(25)17-23-13-6-3-11(20)9-14(13)24-17/h1-9H,(H,23,24)
InChIKeyJASCRWQJWADYOW-UHFFFAOYSA-N
XLogP4.17
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
The IUPAC name of [4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone (CID 46207941) is [4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for [4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
The canonical SMILES for [4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone is O=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of [4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
The InChIKey is JASCRWQJWADYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN4O2/c19-16-18(22-8-7-21-16)26-12-4-1-10(2-5-12)15(25)17-23-13-6-3-11(20)9-14(13)24-17/h1-9H,(H,23,24).
What are the key properties of [4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone?
[4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone has a molecular weight of 368.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 46207941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).