2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide

C15H20N4O2 — CID 50844366

IUPAC2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C15H20N4O2/c1-10(2)19-9-18-13-6-12(4-5-14(13)19)7-17-15(21)8-16-11(3)20/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyJQWDPYJQLRBAKK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds5

About 2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide

2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide (PubChem CID 50844366) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
PubChem CID50844366
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C15H20N4O2/c1-10(2)19-9-18-13-6-12(4-5-14(13)19)7-17-15(21)8-16-11(3)20/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyJQWDPYJQLRBAKK-UHFFFAOYSA-N
XLogP1.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide (CID 50844366) is 2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide is CC(=O)NCC(=O)NCc1ccc2c(c1)ncn2C(C)C.
What is the InChIKey of 2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
The InChIKey is JQWDPYJQLRBAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)19-9-18-13-6-12(4-5-14(13)19)7-17-15(21)8-16-11(3)20/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of 2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 50844366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).