5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride

C22H27ClN4O2 — CID 23284933

IUPAC5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCN(CCc1ccccc1)C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-25(12-9-16-5-3-2-4-6-16)18-10-13-26(14-11-18)21(27)17-7-8-19-20(15-17)24-22(28)23-19;/h2-8,15,18H,9-14H2,1H3,(H2,23,24,28);1H
InChIKeyHSXSRBRDHKGHJC-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.06
Rot. Bonds5

About 5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride

5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride (PubChem CID 23284933) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
PubChem CID23284933
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCN(CCc1ccccc1)C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-25(12-9-16-5-3-2-4-6-16)18-10-13-26(14-11-18)21(27)17-7-8-19-20(15-17)24-22(28)23-19;/h2-8,15,18H,9-14H2,1H3,(H2,23,24,28);1H
InChIKeyHSXSRBRDHKGHJC-UHFFFAOYSA-N
XLogP3.06
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
1,1,3-trimethyl-3-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 23285019
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 166254479
5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 136578028
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone
CID 23285129
1-tert-butyl-1-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70103958
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 23285008
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 102052463

Frequently Asked Questions

What is the IUPAC name of 5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride (CID 23284933) is 5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride is CN(CCc1ccccc1)C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.Cl.
What is the InChIKey of 5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The InChIKey is HSXSRBRDHKGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.ClH/c1-25(12-9-16-5-3-2-4-6-16)18-10-13-26(14-11-18)21(27)17-7-8-19-20(15-17)24-22(28)23-19;/h2-8,15,18H,9-14H2,1H3,(H2,23,24,28);1H.
What are the key properties of 5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 23284933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).