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

C23H26N4O — CID 11314828

IUPAC1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCC(C)C)c2ccccc21
InChIInChI=1S/C23H26N4O/c1-16(2)13-14-25-19-10-6-5-9-18(19)24-22(25)15-26-20-11-7-8-12-21(20)27(17(3)4)23(26)28/h5-12,16H,3,13-15H2,1-2,4H3
InChIKeyVEGAMJMSTUMLLV-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.74
Rot. Bonds6

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

1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 11314828) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID11314828
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCC(C)C)c2ccccc21
InChIInChI=1S/C23H26N4O/c1-16(2)13-14-25-19-10-6-5-9-18(19)24-22(25)15-26-20-11-7-8-12-21(20)27(17(3)4)23(26)28/h5-12,16H,3,13-15H2,1-2,4H3
InChIKeyVEGAMJMSTUMLLV-UHFFFAOYSA-N
XLogP4.74
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one (CID 11314828) is 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCC(C)C)c2ccccc21.
What is the InChIKey of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is VEGAMJMSTUMLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)13-14-25-19-10-6-5-9-18(19)24-22(25)15-26-20-11-7-8-12-21(20)27(17(3)4)23(26)28/h5-12,16H,3,13-15H2,1-2,4H3.
What are the key properties of 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 374.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 11314828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).