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

C20H23N3O2 — CID 110785922

IUPAC2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)NCc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C20H23N3O2/c1-14(2)23-13-22-17-10-16(8-9-18(17)23)11-21-20(24)12-25-19-7-5-4-6-15(19)3/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)
InChIKeyDJVBZRORYYZGCJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.62
Rot. Bonds6

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

2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide (PubChem CID 110785922) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
PubChem CID110785922
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)NCc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C20H23N3O2/c1-14(2)23-13-22-17-10-16(8-9-18(17)23)11-21-20(24)12-25-19-7-5-4-6-15(19)3/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)
InChIKeyDJVBZRORYYZGCJ-UHFFFAOYSA-N
XLogP3.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
CID 82493458
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110782279
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
CID 110791708
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
CID 110785938
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110781704

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide (CID 110785922) is 2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide is Cc1ccccc1OCC(=O)NCc1ccc2c(c1)ncn2C(C)C.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
The InChIKey is DJVBZRORYYZGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)23-13-22-17-10-16(8-9-18(17)23)11-21-20(24)12-25-19-7-5-4-6-15(19)3/h4-10,13-14H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 110785922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).