1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one

C25H23N5O2 — CID 54582258

IUPAC1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21
InChIInChI=1S/C25H23N5O2/c1-28-20-9-3-4-10-21(20)30(25(28)31)18-8-6-14-29(16-18)24-26-13-12-19(27-24)23-15-17-7-2-5-11-22(17)32-23/h2-5,7,9-13,15,18H,6,8,14,16H2,1H3
InChIKeyISRSUPSGMWOLAG-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.38
Rot. Bonds3

About 1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one

1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one (PubChem CID 54582258) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one
PubChem CID54582258
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21
InChIInChI=1S/C25H23N5O2/c1-28-20-9-3-4-10-21(20)30(25(28)31)18-8-6-14-29(16-18)24-26-13-12-19(27-24)23-15-17-7-2-5-11-22(17)32-23/h2-5,7,9-13,15,18H,6,8,14,16H2,1H3
InChIKeyISRSUPSGMWOLAG-UHFFFAOYSA-N
XLogP4.38
TPSA69.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one (CID 54582258) is 1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(C2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21.
What is the InChIKey of 1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one?
The InChIKey is ISRSUPSGMWOLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-28-20-9-3-4-10-21(20)30(25(28)31)18-8-6-14-29(16-18)24-26-13-12-19(27-24)23-15-17-7-2-5-11-22(17)32-23/h2-5,7,9-13,15,18H,6,8,14,16H2,1H3.
What are the key properties of 1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one?
1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one has a molecular weight of 425.49 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 54582258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).