2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole

C22H26N6 — CID 10172596

IUPAC2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESc1ccc(-c2nc3c([nH]2)CCCC3CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C22H26N6/c1-2-6-17(7-3-1)21-25-19-9-4-8-18(20(19)26-21)16-27-12-14-28(15-13-27)22-23-10-5-11-24-22/h1-3,5-7,10-11,18H,4,8-9,12-16H2,(H,25,26)
InChIKeyHDVVPQDZLBYBOB-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.11
Rot. Bonds4

About 2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole

2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 10172596) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID10172596
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESc1ccc(-c2nc3c([nH]2)CCCC3CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C22H26N6/c1-2-6-17(7-3-1)21-25-19-9-4-8-18(20(19)26-21)16-27-12-14-28(15-13-27)22-23-10-5-11-24-22/h1-3,5-7,10-11,18H,4,8-9,12-16H2,(H,25,26)
InChIKeyHDVVPQDZLBYBOB-UHFFFAOYSA-N
XLogP3.11
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole (CID 10172596) is 2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole is c1ccc(-c2nc3c([nH]2)CCCC3CN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is HDVVPQDZLBYBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-2-6-17(7-3-1)21-25-19-9-4-8-18(20(19)26-21)16-27-12-14-28(15-13-27)22-23-10-5-11-24-22/h1-3,5-7,10-11,18H,4,8-9,12-16H2,(H,25,26).
What are the key properties of 2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole?
2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 374.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 10172596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).