2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride

C16H24ClN4O- — CID 53313615

IUPAC2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
SMILESOCCNc1nc2ccccc2n1CCN1CCCCC1.[Cl-]
InChIInChI=1S/C16H24N4O.ClH/c21-13-8-17-16-18-14-6-2-3-7-15(14)20(16)12-11-19-9-4-1-5-10-19;/h2-3,6-7,21H,1,4-5,8-13H2,(H,17,18);1H/p-1
InChIKeyJFCJRUHDPDLMJT-UHFFFAOYSA-M
MW323.85 g/mol
LogP-1.07
Rot. Bonds6

About 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride

2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride (PubChem CID 53313615) has the molecular formula C16H24ClN4O- and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride.

Molecular Properties

Compound Name2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
PubChem CID53313615
Molecular FormulaC16H24ClN4O-
Molecular Weight323.85 g/mol
Exact Mass323.16
IUPAC Name2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
SMILESOCCNc1nc2ccccc2n1CCN1CCCCC1.[Cl-]
InChIInChI=1S/C16H24N4O.ClH/c21-13-8-17-16-18-14-6-2-3-7-15(14)20(16)12-11-19-9-4-1-5-10-19;/h2-3,6-7,21H,1,4-5,8-13H2,(H,17,18);1H/p-1
InChIKeyJFCJRUHDPDLMJT-UHFFFAOYSA-M
XLogP-1.07
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 19576141
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol
CID 4787112
2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 17374527
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 118725842
2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 118725742
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796
1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea
CID 39735359
2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 154746527

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride?
The IUPAC name of 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride (CID 53313615) is 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride.
What is the SMILES notation for 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride?
The canonical SMILES for 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride is OCCNc1nc2ccccc2n1CCN1CCCCC1.[Cl-].
What is the InChIKey of 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride?
The InChIKey is JFCJRUHDPDLMJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24N4O.ClH/c21-13-8-17-16-18-14-6-2-3-7-15(14)20(16)12-11-19-9-4-1-5-10-19;/h2-3,6-7,21H,1,4-5,8-13H2,(H,17,18);1H/p-1.
What are the key properties of 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride?
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride has a molecular weight of 323.85 g/mol, XLogP of -1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride is sourced from PubChem (CID 53313615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).