[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone

C27H26N4O2 — CID 166211275

IUPAC[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone
SMILESO=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H26N4O2/c32-27(22-15-21(16-28-17-22)19-5-6-25-20(14-19)9-12-33-25)31-10-7-18(8-11-31)13-26-29-23-3-1-2-4-24(23)30-26/h1-6,14-18H,7-13H2,(H,29,30)
InChIKeyMJUBKZLWSHBBKA-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.65
Rot. Bonds4

About [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone

[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone (PubChem CID 166211275) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone
PubChem CID166211275
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone
SMILESO=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H26N4O2/c32-27(22-15-21(16-28-17-22)19-5-6-25-20(14-19)9-12-33-25)31-10-7-18(8-11-31)13-26-29-23-3-1-2-4-24(23)30-26/h1-6,14-18H,7-13H2,(H,29,30)
InChIKeyMJUBKZLWSHBBKA-UHFFFAOYSA-N
XLogP4.65
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone (CID 166211275) is [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone is O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCC(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone?
The InChIKey is MJUBKZLWSHBBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-27(22-15-21(16-28-17-22)19-5-6-25-20(14-19)9-12-33-25)31-10-7-18(8-11-31)13-26-29-23-3-1-2-4-24(23)30-26/h1-6,14-18H,7-13H2,(H,29,30).
What are the key properties of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone?
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone has a molecular weight of 438.53 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 166211275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).