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

C19H28ClN3O2 — CID 172967946

IUPAC5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
SMILESCc1ccc2[nH]c(=O)n(C3CCN([C@@H]4CCOC(C)C4)CC3)c2c1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-13-3-4-17-18(11-13)22(19(23)20-17)15-5-8-21(9-6-15)16-7-10-24-14(2)12-16;/h3-4,11,14-16H,5-10,12H2,1-2H3,(H,20,23);1H/t14?,16-;/m1./s1
InChIKeyVPCZWYAOFRLRGE-BXWZNKKMSA-N
MW365.91 g/mol
LogP3.26
Rot. Bonds2

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

5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride (PubChem CID 172967946) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
PubChem CID172967946
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
SMILESCc1ccc2[nH]c(=O)n(C3CCN([C@@H]4CCOC(C)C4)CC3)c2c1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-13-3-4-17-18(11-13)22(19(23)20-17)15-5-8-21(9-6-15)16-7-10-24-14(2)12-16;/h3-4,11,14-16H,5-10,12H2,1-2H3,(H,20,23);1H/t14?,16-;/m1./s1
InChIKeyVPCZWYAOFRLRGE-BXWZNKKMSA-N
XLogP3.26
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride (CID 172967946) is 5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride is Cc1ccc2[nH]c(=O)n(C3CCN([C@@H]4CCOC(C)C4)CC3)c2c1.Cl.
What is the InChIKey of 5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is VPCZWYAOFRLRGE-BXWZNKKMSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-13-3-4-17-18(11-13)22(19(23)20-17)15-5-8-21(9-6-15)16-7-10-24-14(2)12-16;/h3-4,11,14-16H,5-10,12H2,1-2H3,(H,20,23);1H/t14?,16-;/m1./s1.
What are the key properties of 5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 172967946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).