1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone

C31H23N5O4 — CID 59351184

IUPAC1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone
SMILESCOc1ccc(COc2ncccc2-c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C31H23N5O4/c1-38-22-12-8-20(9-13-22)19-39-30-24(5-4-16-33-30)27-31(34-18-17-32-27)40-23-14-10-21(11-15-23)28(37)29-35-25-6-2-3-7-26(25)36-29/h2-18H,19H2,1H3,(H,35,36)
InChIKeyVHSWFADGWYSNNK-UHFFFAOYSA-N
MW529.56 g/mol
LogP6.03
Rot. Bonds9

About 1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone

1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 59351184) has the molecular formula C31H23N5O4 and a molecular weight of 529.56 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone
PubChem CID59351184
Molecular FormulaC31H23N5O4
Molecular Weight529.56 g/mol
Exact Mass529.18
IUPAC Name1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone
SMILESCOc1ccc(COc2ncccc2-c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C31H23N5O4/c1-38-22-12-8-20(9-13-22)19-39-30-24(5-4-16-33-30)27-31(34-18-17-32-27)40-23-14-10-21(11-15-23)28(37)29-35-25-6-2-3-7-26(25)36-29/h2-18H,19H2,1H3,(H,35,36)
InChIKeyVHSWFADGWYSNNK-UHFFFAOYSA-N
XLogP6.03
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.56
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone (CID 59351184) is 1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone is COc1ccc(COc2ncccc2-c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is VHSWFADGWYSNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5O4/c1-38-22-12-8-20(9-13-22)19-39-30-24(5-4-16-33-30)27-31(34-18-17-32-27)40-23-14-10-21(11-15-23)28(37)29-35-25-6-2-3-7-26(25)36-29/h2-18H,19H2,1H3,(H,35,36).
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 529.56 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 59351184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).