2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol

C17H21N5O — CID 72881394

IUPAC2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(N2CCCC(c3ncc[nH]3)C2)nc2ccccc21
InChIInChI=1S/C17H21N5O/c23-11-10-22-15-6-2-1-5-14(15)20-17(22)21-9-3-4-13(12-21)16-18-7-8-19-16/h1-2,5-8,13,23H,3-4,9-12H2,(H,18,19)
InChIKeyIFXKIEZZQBEQFR-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.14
Rot. Bonds4

About 2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol

2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol (PubChem CID 72881394) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol
PubChem CID72881394
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(N2CCCC(c3ncc[nH]3)C2)nc2ccccc21
InChIInChI=1S/C17H21N5O/c23-11-10-22-15-6-2-1-5-14(15)20-17(22)21-9-3-4-13(12-21)16-18-7-8-19-16/h1-2,5-8,13,23H,3-4,9-12H2,(H,18,19)
InChIKeyIFXKIEZZQBEQFR-UHFFFAOYSA-N
XLogP2.14
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
CID 127741692
2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide
CID 86583903
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylquinoline
CID 133448347
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine
CID 133448375
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97114323
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133448356
4-(difluoromethyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine
CID 166270987
acetic acid;2-[2-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]benzimidazol-1-yl]ethanol
CID 171322561

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol (CID 72881394) is 2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol is OCCn1c(N2CCCC(c3ncc[nH]3)C2)nc2ccccc21.
What is the InChIKey of 2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol?
The InChIKey is IFXKIEZZQBEQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-11-10-22-15-6-2-1-5-14(15)20-17(22)21-9-3-4-13(12-21)16-18-7-8-19-16/h1-2,5-8,13,23H,3-4,9-12H2,(H,18,19).
What are the key properties of 2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol?
2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol has a molecular weight of 311.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 72881394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).