1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one

C22H24N4O2 — CID 23551337

IUPAC1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCC(C)O)c2ccccc21
InChIInChI=1S/C22H24N4O2/c1-15(2)26-20-11-7-6-10-19(20)25(22(26)28)14-21-23-17-8-4-5-9-18(17)24(21)13-12-16(3)27/h4-11,16,27H,1,12-14H2,2-3H3
InChIKeyJSGXNWDDMGLTLC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.46
Rot. Bonds6

About 1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one

1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 23551337) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID23551337
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCC(C)O)c2ccccc21
InChIInChI=1S/C22H24N4O2/c1-15(2)26-20-11-7-6-10-19(20)25(22(26)28)14-21-23-17-8-4-5-9-18(17)24(21)13-12-16(3)27/h4-11,16,27H,1,12-14H2,2-3H3
InChIKeyJSGXNWDDMGLTLC-UHFFFAOYSA-N
XLogP3.46
TPSA64.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one (CID 23551337) is 1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCC(C)O)c2ccccc21.
What is the InChIKey of 1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is JSGXNWDDMGLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(2)26-20-11-7-6-10-19(20)25(22(26)28)14-21-23-17-8-4-5-9-18(17)24(21)13-12-16(3)27/h4-11,16,27H,1,12-14H2,2-3H3.
What are the key properties of 1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 23551337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).