3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one

C17H19N5O — CID 151179196

IUPAC3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one
SMILESCN1CCN(c2ccc(-n3c(=O)[nH]c4ccccc43)cn2)CC1
InChIInChI=1S/C17H19N5O/c1-20-8-10-21(11-9-20)16-7-6-13(12-18-16)22-15-5-3-2-4-14(15)19-17(22)23/h2-7,12H,8-11H2,1H3,(H,19,23)
InChIKeyNDXURSIDWHHVIT-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.47
Rot. Bonds2

About 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one

3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one (PubChem CID 151179196) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one
PubChem CID151179196
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one
SMILESCN1CCN(c2ccc(-n3c(=O)[nH]c4ccccc43)cn2)CC1
InChIInChI=1S/C17H19N5O/c1-20-8-10-21(11-9-20)16-7-6-13(12-18-16)22-15-5-3-2-4-14(15)19-17(22)23/h2-7,12H,8-11H2,1H3,(H,19,23)
InChIKeyNDXURSIDWHHVIT-UHFFFAOYSA-N
XLogP1.47
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-bromo-3-pyridinyl)-1H-benzimidazol-2-one
CID 146172987
3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one
CID 171746097
3-quinolin-3-yl-1H-benzimidazol-2-one
CID 150795501
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one
CID 146172820
3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one
CID 151138139
3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one
CID 174749745
3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-indazole
CID 167350617
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
3-(6-chloropyrimidin-4-yl)-1H-benzimidazol-2-one
CID 87584662
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
2-methyl-2-[4-[9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
CID 90077575

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one (CID 151179196) is 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one is CN1CCN(c2ccc(-n3c(=O)[nH]c4ccccc43)cn2)CC1.
What is the InChIKey of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one?
The InChIKey is NDXURSIDWHHVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-20-8-10-21(11-9-20)16-7-6-13(12-18-16)22-15-5-3-2-4-14(15)19-17(22)23/h2-7,12H,8-11H2,1H3,(H,19,23).
What are the key properties of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one?
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one has a molecular weight of 309.37 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 151179196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).