1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one

C19H20N4O2 — CID 23551352

IUPAC1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2nc3ccccc3n2CCO)c2ccccc21
InChIInChI=1S/C19H20N4O2/c1-2-21-16-9-5-6-10-17(16)23(19(21)25)13-18-20-14-7-3-4-8-15(14)22(18)11-12-24/h3-10,24H,2,11-13H2,1H3
InChIKeyVRJSPQKOXXLCGB-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.21
Rot. Bonds5

About 1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one

1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one (PubChem CID 23551352) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
PubChem CID23551352
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2nc3ccccc3n2CCO)c2ccccc21
InChIInChI=1S/C19H20N4O2/c1-2-21-16-9-5-6-10-17(16)23(19(21)25)13-18-20-14-7-3-4-8-15(14)22(18)11-12-24/h3-10,24H,2,11-13H2,1H3
InChIKeyVRJSPQKOXXLCGB-UHFFFAOYSA-N
XLogP2.21
TPSA64.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one (CID 23551352) is 1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one is CCn1c(=O)n(Cc2nc3ccccc3n2CCO)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
The InChIKey is VRJSPQKOXXLCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-21-16-9-5-6-10-17(16)23(19(21)25)13-18-20-14-7-3-4-8-15(14)22(18)11-12-24/h3-10,24H,2,11-13H2,1H3.
What are the key properties of 1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 23551352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).