[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone

C23H21N5O — CID 44565636

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H21N5O/c29-23(18-8-6-16(7-9-18)21-24-12-3-13-25-21)28-14-10-17(11-15-28)22-26-19-4-1-2-5-20(19)27-22/h1-9,12-13,17H,10-11,14-15H2,(H,26,27)
InChIKeyUCMOHPZCFZTGOA-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.04
Rot. Bonds3

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone (PubChem CID 44565636) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
PubChem CID44565636
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H21N5O/c29-23(18-8-6-16(7-9-18)21-24-12-3-13-25-21)28-14-10-17(11-15-28)22-26-19-4-1-2-5-20(19)27-22/h1-9,12-13,17H,10-11,14-15H2,(H,26,27)
InChIKeyUCMOHPZCFZTGOA-UHFFFAOYSA-N
XLogP4.04
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone (CID 44565636) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone is O=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone?
The InChIKey is UCMOHPZCFZTGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(18-8-6-16(7-9-18)21-24-12-3-13-25-21)28-14-10-17(11-15-28)22-26-19-4-1-2-5-20(19)27-22/h1-9,12-13,17H,10-11,14-15H2,(H,26,27).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone has a molecular weight of 383.46 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 44565636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).