N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide

C27H23N3O2 — CID 17032304

IUPACN-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1
InChIInChI=1S/C27H23N3O2/c1-19-7-6-10-22(15-19)28-27(31)17-30-25-12-5-4-11-24(25)29-26(30)18-32-23-14-13-20-8-2-3-9-21(20)16-23/h2-16H,17-18H2,1H3,(H,28,31)
InChIKeyMMRSLARRCHKLBX-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.72
Rot. Bonds6

About N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide

N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 17032304) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
PubChem CID17032304
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC NameN-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1
InChIInChI=1S/C27H23N3O2/c1-19-7-6-10-22(15-19)28-27(31)17-30-25-12-5-4-11-24(25)29-26(30)18-32-23-14-13-20-8-2-3-9-21(20)16-23/h2-16H,17-18H2,1H3,(H,28,31)
InChIKeyMMRSLARRCHKLBX-UHFFFAOYSA-N
XLogP5.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 26124824
2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 32735745
N-cyclohexyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032294
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031923

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide (CID 17032304) is N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide is Cc1cccc(NC(=O)Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is MMRSLARRCHKLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-19-7-6-10-22(15-19)28-27(31)17-30-25-12-5-4-11-24(25)29-26(30)18-32-23-14-13-20-8-2-3-9-21(20)16-23/h2-16H,17-18H2,1H3,(H,28,31).
What are the key properties of N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide?
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17032304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).