N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C16H21N3O2 — CID 24688341

IUPACN-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCC(C1CC1)N(C)C(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-11(12-8-9-12)17(2)15(20)10-19-14-7-5-4-6-13(14)18(3)16(19)21/h4-7,11-12H,8-10H2,1-3H3
InChIKeyANBOKWQVRQTSRT-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.60
Rot. Bonds4

About N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 24688341) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID24688341
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCC(C1CC1)N(C)C(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-11(12-8-9-12)17(2)15(20)10-19-14-7-5-4-6-13(14)18(3)16(19)21/h4-7,11-12H,8-10H2,1-3H3
InChIKeyANBOKWQVRQTSRT-UHFFFAOYSA-N
XLogP1.60
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 24688341) is N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is CC(C1CC1)N(C)C(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is ANBOKWQVRQTSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(12-8-9-12)17(2)15(20)10-19-14-7-5-4-6-13(14)18(3)16(19)21/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 24688341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).