2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C20H22N4O3 — CID 17028897

IUPAC2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(CNC(C)=O)nc3ccccc32)cc1
InChIInChI=1S/C20H22N4O3/c1-14(25)21-12-19-23-17-5-3-4-6-18(17)24(19)13-20(26)22-11-15-7-9-16(27-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUBENLYOODDBKHB-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.00
Rot. Bonds7

About 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 17028897) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID17028897
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(CNC(C)=O)nc3ccccc32)cc1
InChIInChI=1S/C20H22N4O3/c1-14(25)21-12-19-23-17-5-3-4-6-18(17)24(19)13-20(26)22-11-15-7-9-16(27-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUBENLYOODDBKHB-UHFFFAOYSA-N
XLogP2.00
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028946
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030107
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 17030548
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032573

Frequently Asked Questions

What is the IUPAC name of 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 17028897) is 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2c(CNC(C)=O)nc3ccccc32)cc1.
What is the InChIKey of 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is UBENLYOODDBKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14(25)21-12-19-23-17-5-3-4-6-18(17)24(19)13-20(26)22-11-15-7-9-16(27-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 17028897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).