2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide

C20H23N3O2 — CID 17032004

IUPAC2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(OCc2nc3ccccc3n2CC(=O)NC(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-14(2)21-20(24)12-23-18-7-5-4-6-17(18)22-19(23)13-25-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,21,24)
InChIKeyPMBQFZDSMSHGBD-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.45
Rot. Bonds6

About 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide

2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 17032004) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID17032004
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(OCc2nc3ccccc3n2CC(=O)NC(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-14(2)21-20(24)12-23-18-7-5-4-6-17(18)22-19(23)13-25-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,21,24)
InChIKeyPMBQFZDSMSHGBD-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide
CID 78773101
N-[(3-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 134051104
4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221139
N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 4880410
2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 25346259
N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119586379
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564
2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 32735745
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998268
2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
CID 119213222

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide (CID 17032004) is 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide is Cc1ccc(OCc2nc3ccccc3n2CC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is PMBQFZDSMSHGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)21-20(24)12-23-18-7-5-4-6-17(18)22-19(23)13-25-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,21,24).
What are the key properties of 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 337.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 17032004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).