N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide

C20H23N3O2 — CID 51158115

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-13(2)19(20-21-16-6-4-5-7-17(16)22-20)23-18(24)12-14-8-10-15(25-3)11-9-14/h4-11,13,19H,12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyMLGSEHOQCACZOL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.63
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 51158115) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
PubChem CID51158115
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-13(2)19(20-21-16-6-4-5-7-17(16)22-20)23-18(24)12-14-8-10-15(25-3)11-9-14/h4-11,13,19H,12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyMLGSEHOQCACZOL-UHFFFAOYSA-N
XLogP3.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55936739
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
CID 55595818
2-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-3-oxobutanenitrile
CID 86977594
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55344683

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide (CID 51158115) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is MLGSEHOQCACZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)19(20-21-16-6-4-5-7-17(16)22-20)23-18(24)12-14-8-10-15(25-3)11-9-14/h4-11,13,19H,12H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 51158115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).