1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone

C24H21N3O3 — CID 143998449

IUPAC1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone
SMILESO=C(c1ccc(Oc2ccccn2)cc1)c1nc2ccccc2[nH]1.O=C1CCCC1
InChIInChI=1S/C19H13N3O2.C5H8O/c23-18(19-21-15-5-1-2-6-16(15)22-19)13-8-10-14(11-9-13)24-17-7-3-4-12-20-17;6-5-3-1-2-4-5/h1-12H,(H,21,22);1-4H2
InChIKeyXEIMPCDGDOCMHP-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.11
Rot. Bonds4

About 1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone

1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone (PubChem CID 143998449) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone
PubChem CID143998449
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone
SMILESO=C(c1ccc(Oc2ccccn2)cc1)c1nc2ccccc2[nH]1.O=C1CCCC1
InChIInChI=1S/C19H13N3O2.C5H8O/c23-18(19-21-15-5-1-2-6-16(15)22-19)13-8-10-14(11-9-13)24-17-7-3-4-12-20-17;6-5-3-1-2-4-5/h1-12H,(H,21,22);1-4H2
InChIKeyXEIMPCDGDOCMHP-UHFFFAOYSA-N
XLogP5.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.11
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-pyridin-2-yloxyphenyl)methanone;cyclopentanone?
The IUPAC name of 1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone (CID 143998449) is 1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone?
The canonical SMILES for 1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone is O=C(c1ccc(Oc2ccccn2)cc1)c1nc2ccccc2[nH]1.O=C1CCCC1.
What is the InChIKey of 1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone?
The InChIKey is XEIMPCDGDOCMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2.C5H8O/c23-18(19-21-15-5-1-2-6-16(15)22-19)13-8-10-14(11-9-13)24-17-7-3-4-12-20-17;6-5-3-1-2-4-5/h1-12H,(H,21,22);1-4H2.
What are the key properties of 1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone?
1H-benzimidazol-2-yl-(4-pyridin-2-yloxyphenyl)methanone;cyclopentanone has a molecular weight of 399.45 g/mol, XLogP of 5.11, 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-pyridin-2-yloxyphenyl)methanone;cyclopentanone is sourced from PubChem (CID 143998449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).