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

C16H21N3O2 — CID 92843676

IUPACN-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESC[C@@H](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/t11-/m0/s1
InChIKeyANBOKWQVRQTSRT-NSHDSACASA-N
MW287.36 g/mol
LogP1.60
Rot. Bonds4

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

N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 92843676) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID92843676
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESC[C@@H](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/t11-/m0/s1
InChIKeyANBOKWQVRQTSRT-NSHDSACASA-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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Related Compounds

N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24688341
N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 664799
N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 51547425
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-propan-2-ylamino]acetate
CID 78877867
N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide
CID 42896336
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 110023664
1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240
N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
CID 24603426
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
CID 115685391
1-(3,3-dimethyl-2-oxobutyl)-3-methylbenzimidazol-2-one
CID 60708777
N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
CID 18141597
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51727046

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 92843676) is N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is C[C@@H](C1CC1)N(C)C(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is ANBOKWQVRQTSRT-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-[(1S)-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-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 92843676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).