2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol

C22H28N4O — CID 2868077

IUPAC2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol
SMILES[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C22H28N4O/c23-22-25(16-15-24-13-7-2-8-14-24)19-11-5-6-12-20(19)26(22)17-21(27)18-9-3-1-4-10-18/h1,3-6,9-12,21,23,27H,2,7-8,13-17H2/b23-22+
InChIKeyOZKXFRXCVDFGHE-GHVJWSGMSA-N
MW364.49 g/mol
LogP3.14
Rot. Bonds6

About 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol

2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol (PubChem CID 2868077) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol
PubChem CID2868077
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol
SMILES[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C22H28N4O/c23-22-25(16-15-24-13-7-2-8-14-24)19-11-5-6-12-20(19)26(22)17-21(27)18-9-3-1-4-10-18/h1,3-6,9-12,21,23,27H,2,7-8,13-17H2/b23-22+
InChIKeyOZKXFRXCVDFGHE-GHVJWSGMSA-N
XLogP3.14
TPSA57.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride
CID 53346962
1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol
CID 3130803
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
CID 3123763
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
CID 53314647
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
CID 1043068
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 2952649
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one
CID 72550075
(1R)-1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanol
CID 1111790
1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone
CID 72549860
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
CID 5218920
1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
CID 2868453
(2S)-1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-phenoxypropan-2-ol
CID 1118371

Frequently Asked Questions

What is the IUPAC name of 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol (CID 2868077) is 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol is [H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol?
The InChIKey is OZKXFRXCVDFGHE-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H28N4O/c23-22-25(16-15-24-13-7-2-8-14-24)19-11-5-6-12-20(19)26(22)17-21(27)18-9-3-1-4-10-18/h1,3-6,9-12,21,23,27H,2,7-8,13-17H2/b23-22+.
What are the key properties of 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol?
2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol has a molecular weight of 364.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 2868077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).