N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide

C26H33N5O2 — CID 20814107

IUPACN-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C
InChIInChI=1S/C26H33N5O2/c1-17(2)12-13-29-22-11-10-20(15-27-19(5)32)14-21(22)28-25(29)16-30-23-8-6-7-9-24(23)31(18(3)4)26(30)33/h6-11,14,17-18H,12-13,15-16H2,1-5H3,(H,27,32)
InChIKeyVZYDPHRJZRXQBW-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.46
Rot. Bonds8

About N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide

N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide (PubChem CID 20814107) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide
PubChem CID20814107
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C
InChIInChI=1S/C26H33N5O2/c1-17(2)12-13-29-22-11-10-20(15-27-19(5)32)14-21(22)28-25(29)16-30-23-8-6-7-9-24(23)31(18(3)4)26(30)33/h6-11,14,17-18H,12-13,15-16H2,1-5H3,(H,27,32)
InChIKeyVZYDPHRJZRXQBW-UHFFFAOYSA-N
XLogP4.46
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide (CID 20814107) is N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide is CC(=O)NCc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C.
What is the InChIKey of N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide?
The InChIKey is VZYDPHRJZRXQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-17(2)12-13-29-22-11-10-20(15-27-19(5)32)14-21(22)28-25(29)16-30-23-8-6-7-9-24(23)31(18(3)4)26(30)33/h6-11,14,17-18H,12-13,15-16H2,1-5H3,(H,27,32).
What are the key properties of N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide?
N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 20814107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).