N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide

C25H25N3O — CID 16972530

IUPACN-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESCc1cccc(Cn2c(C(C)NC(=O)Cc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C25H25N3O/c1-18-9-8-12-21(15-18)17-28-23-14-7-6-13-22(23)27-25(28)19(2)26-24(29)16-20-10-4-3-5-11-20/h3-15,19H,16-17H2,1-2H3,(H,26,29)
InChIKeyVTSJLORBTYIHBS-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.81
Rot. Bonds6

About N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide

N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (PubChem CID 16972530) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
PubChem CID16972530
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESCc1cccc(Cn2c(C(C)NC(=O)Cc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C25H25N3O/c1-18-9-8-12-21(15-18)17-28-23-14-7-6-13-22(23)27-25(28)19(2)26-24(29)16-20-10-4-3-5-11-20/h3-15,19H,16-17H2,1-2H3,(H,26,29)
InChIKeyVTSJLORBTYIHBS-UHFFFAOYSA-N
XLogP4.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969176
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972536
N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366479
N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972535
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970447
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972690
N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970466
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (CID 16972530) is N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is Cc1cccc(Cn2c(C(C)NC(=O)Cc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The InChIKey is VTSJLORBTYIHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-18-9-8-12-21(15-18)17-28-23-14-7-6-13-22(23)27-25(28)19(2)26-24(29)16-20-10-4-3-5-11-20/h3-15,19H,16-17H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 383.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 16972530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).