3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one

C20H26N6O — CID 165127975

IUPAC3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N6O/c27-20-23-17-7-2-3-8-18(17)26(20)12-5-1-4-11-24-13-15-25(16-14-24)19-21-9-6-10-22-19/h2-3,6-10H,1,4-5,11-16H2,(H,23,27)
InChIKeyCTVBVUAETLXXRW-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.11
Rot. Bonds7

About 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one

3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one (PubChem CID 165127975) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
PubChem CID165127975
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N6O/c27-20-23-17-7-2-3-8-18(17)26(20)12-5-1-4-11-24-13-15-25(16-14-24)19-21-9-6-10-22-19/h2-3,6-10H,1,4-5,11-16H2,(H,23,27)
InChIKeyCTVBVUAETLXXRW-UHFFFAOYSA-N
XLogP2.11
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-pyrimidin-4-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
CID 165127999
3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
CID 23369424
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 113195210
3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one
CID 165128018
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
6-amino-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione
CID 19023409
6-methylsulfanyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1H-quinazoline-2,4-dione
CID 19023440
3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
CID 14823436
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one
CID 10427916
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one (CID 165127975) is 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one?
The InChIKey is CTVBVUAETLXXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-20-23-17-7-2-3-8-18(17)26(20)12-5-1-4-11-24-13-15-25(16-14-24)19-21-9-6-10-22-19/h2-3,6-10H,1,4-5,11-16H2,(H,23,27).
What are the key properties of 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one?
3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 165127975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).