3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one

C19H22N4O — CID 23369457

IUPAC3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O/c24-19-20-17-8-4-5-9-18(17)23(19)15-12-21-10-13-22(14-11-21)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,20,24)
InChIKeyYRGCQVABMWVYFL-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.15
Rot. Bonds4

About 3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one

3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one (PubChem CID 23369457) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
PubChem CID23369457
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O/c24-19-20-17-8-4-5-9-18(17)23(19)15-12-21-10-13-22(14-11-21)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,20,24)
InChIKeyYRGCQVABMWVYFL-UHFFFAOYSA-N
XLogP2.15
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one (CID 23369457) is 3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The InChIKey is YRGCQVABMWVYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19-20-17-8-4-5-9-18(17)23(19)15-12-21-10-13-22(14-11-21)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,20,24).
What are the key properties of 3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 23369457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).