3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride

C20H30ClN3O2 — CID 69122480

IUPAC3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride
SMILESCCC1(N2CCC(n3c(=O)[nH]c4ccc(C)cc43)CC2)CCOCC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-3-20(8-12-25-13-9-20)22-10-6-16(7-11-22)23-18-14-15(2)4-5-17(18)21-19(23)24;/h4-5,14,16H,3,6-13H2,1-2H3,(H,21,24);1H
InChIKeyCRNXLIXVVDVKPV-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.66
Rot. Bonds3

About 3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride

3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride (PubChem CID 69122480) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride
PubChem CID69122480
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride
SMILESCCC1(N2CCC(n3c(=O)[nH]c4ccc(C)cc43)CC2)CCOCC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-3-20(8-12-25-13-9-20)22-10-6-16(7-11-22)23-18-14-15(2)4-5-17(18)21-19(23)24;/h4-5,14,16H,3,6-13H2,1-2H3,(H,21,24);1H
InChIKeyCRNXLIXVVDVKPV-UHFFFAOYSA-N
XLogP3.66
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride (CID 69122480) is 3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride is CCC1(N2CCC(n3c(=O)[nH]c4ccc(C)cc43)CC2)CCOCC1.Cl.
What is the InChIKey of 3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is CRNXLIXVVDVKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-3-20(8-12-25-13-9-20)22-10-6-16(7-11-22)23-18-14-15(2)4-5-17(18)21-19(23)24;/h4-5,14,16H,3,6-13H2,1-2H3,(H,21,24);1H.
What are the key properties of 3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride?
3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 69122480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).