3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one

C17H20N4O — CID 173295713

IUPAC3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2C=CC=CN2)CC1
InChIInChI=1S/C17H20N4O/c22-17-19-14-5-1-2-6-15(14)21(17)13-8-11-20(12-9-13)16-7-3-4-10-18-16/h1-7,10,13,16,18H,8-9,11-12H2,(H,19,22)
InChIKeyVJJZUGINBTZZEN-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.97
Rot. Bonds2

About 3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 173295713) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID173295713
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2C=CC=CN2)CC1
InChIInChI=1S/C17H20N4O/c22-17-19-14-5-1-2-6-15(14)21(17)13-8-11-20(12-9-13)16-7-3-4-10-18-16/h1-7,10,13,16,18H,8-9,11-12H2,(H,19,22)
InChIKeyVJJZUGINBTZZEN-UHFFFAOYSA-N
XLogP1.97
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471560
3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322916
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 10309214
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 131722251
3-[1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322996

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 173295713) is 3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C2C=CC=CN2)CC1.
What is the InChIKey of 3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is VJJZUGINBTZZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17-19-14-5-1-2-6-15(14)21(17)13-8-11-20(12-9-13)16-7-3-4-10-18-16/h1-7,10,13,16,18H,8-9,11-12H2,(H,19,22).
What are the key properties of 3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 296.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 173295713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).