3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide

C25H25N3O — CID 42933546

IUPAC3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NC(Cc2nc3ccccc3n2C)c2ccccc2)c1
InChIInChI=1S/C25H25N3O/c1-17-13-18(2)15-20(14-17)25(29)27-22(19-9-5-4-6-10-19)16-24-26-21-11-7-8-12-23(21)28(24)3/h4-15,22H,16H2,1-3H3,(H,27,29)
InChIKeyMGYKLKUGJFQXQG-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.90
Rot. Bonds5

About 3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide

3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide (PubChem CID 42933546) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
PubChem CID42933546
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NC(Cc2nc3ccccc3n2C)c2ccccc2)c1
InChIInChI=1S/C25H25N3O/c1-17-13-18(2)15-20(14-17)25(29)27-22(19-9-5-4-6-10-19)16-24-26-21-11-7-8-12-23(21)28(24)3/h4-15,22H,16H2,1-3H3,(H,27,29)
InChIKeyMGYKLKUGJFQXQG-UHFFFAOYSA-N
XLogP4.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
CID 42933551
4-methyl-N-[(1R)-2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-3-nitrobenzamide
CID 25388420
1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide
CID 42933561
N-[(1S)-2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-4-methylsulfonyl-3-nitrobenzamide
CID 41171401
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-2-nitrobenzamide
CID 42933537
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-4-nitrobenzamide
CID 42933542
[2-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200785
3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 107861785
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
CID 81009059
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 110004090

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide (CID 42933546) is 3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide is Cc1cc(C)cc(C(=O)NC(Cc2nc3ccccc3n2C)c2ccccc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide?
The InChIKey is MGYKLKUGJFQXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17-13-18(2)15-20(14-17)25(29)27-22(19-9-5-4-6-10-19)16-24-26-21-11-7-8-12-23(21)28(24)3/h4-15,22H,16H2,1-3H3,(H,27,29).
What are the key properties of 3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide?
3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide has a molecular weight of 383.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide is sourced from PubChem (CID 42933546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).