diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride

C19H27ClN4O2 — CID 44658221

IUPACdiethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride
SMILES[Cl-].[H]/N=c1\n(CC[NH+](CC)CC)c2ccccc2n1CC(O)c1ccco1
InChIInChI=1S/C19H26N4O2.ClH/c1-3-21(4-2)11-12-22-15-8-5-6-9-16(15)23(19(22)20)14-17(24)18-10-7-13-25-18;/h5-10,13,17,20,24H,3-4,11-12,14H2,1-2H3;1H/b20-19+;
InChIKeyZBSIXWAQQTZYMY-RZLHGTIFSA-N
MW378.90 g/mol
LogP-1.82
Rot. Bonds8

About diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride

diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride (PubChem CID 44658221) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride
PubChem CID44658221
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Namediethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride
SMILES[Cl-].[H]/N=c1\n(CC[NH+](CC)CC)c2ccccc2n1CC(O)c1ccco1
InChIInChI=1S/C19H26N4O2.ClH/c1-3-21(4-2)11-12-22-15-8-5-6-9-16(15)23(19(22)20)14-17(24)18-10-7-13-25-18;/h5-10,13,17,20,24H,3-4,11-12,14H2,1-2H3;1H/b20-19+;
InChIKeyZBSIXWAQQTZYMY-RZLHGTIFSA-N
XLogP-1.82
TPSA71.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride?
The IUPAC name of diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride (CID 44658221) is diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride?
The canonical SMILES for diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride is [Cl-].[H]/N=c1\n(CC[NH+](CC)CC)c2ccccc2n1CC(O)c1ccco1.
What is the InChIKey of diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride?
The InChIKey is ZBSIXWAQQTZYMY-RZLHGTIFSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-3-21(4-2)11-12-22-15-8-5-6-9-16(15)23(19(22)20)14-17(24)18-10-7-13-25-18;/h5-10,13,17,20,24H,3-4,11-12,14H2,1-2H3;1H/b20-19+;.
What are the key properties of diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride?
diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride has a molecular weight of 378.90 g/mol, XLogP of -1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride is sourced from PubChem (CID 44658221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).