1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one

C23H26N4O2 — CID 23551349

IUPAC1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one
SMILESCC(=O)c1ccc2c(c1)nc(Cn1c(=O)n(C)c3ccccc31)n2CCC(C)C
InChIInChI=1S/C23H26N4O2/c1-15(2)11-12-26-19-10-9-17(16(3)28)13-18(19)24-22(26)14-27-21-8-6-5-7-20(21)25(4)23(27)29/h5-10,13,15H,11-12,14H2,1-4H3
InChIKeyGDWHTLKIOAPEQG-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.99
Rot. Bonds6

About 1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one

1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one (PubChem CID 23551349) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one
PubChem CID23551349
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one
SMILESCC(=O)c1ccc2c(c1)nc(Cn1c(=O)n(C)c3ccccc31)n2CCC(C)C
InChIInChI=1S/C23H26N4O2/c1-15(2)11-12-26-19-10-9-17(16(3)28)13-18(19)24-22(26)14-27-21-8-6-5-7-20(21)25(4)23(27)29/h5-10,13,15H,11-12,14H2,1-4H3
InChIKeyGDWHTLKIOAPEQG-UHFFFAOYSA-N
XLogP3.99
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one (CID 23551349) is 1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one is CC(=O)c1ccc2c(c1)nc(Cn1c(=O)n(C)c3ccccc31)n2CCC(C)C.
What is the InChIKey of 1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one?
The InChIKey is GDWHTLKIOAPEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)11-12-26-19-10-9-17(16(3)28)13-18(19)24-22(26)14-27-21-8-6-5-7-20(21)25(4)23(27)29/h5-10,13,15H,11-12,14H2,1-4H3.
What are the key properties of 1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one?
1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one has a molecular weight of 390.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-acetyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 23551349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).