2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C24H24N4O2 — CID 9119353

IUPAC2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H24N4O2/c1-17-12-13-22(30-2)20(14-17)26-23(29)16-28-21-11-7-6-10-19(21)27-24(28)25-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyCHANLBMTYBYZMB-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.60
Rot. Bonds7

About 2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 9119353) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID9119353
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H24N4O2/c1-17-12-13-22(30-2)20(14-17)26-23(29)16-28-21-11-7-6-10-19(21)27-24(28)25-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyCHANLBMTYBYZMB-UHFFFAOYSA-N
XLogP4.60
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56685527
2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
CID 1153614
2-(benzotriazol-1-yloxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7668398
N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 4880410
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N-(2-methoxy-5-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)acetamide
CID 84573070
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157477
2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 976850
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 9119353) is 2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is CHANLBMTYBYZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-12-13-22(30-2)20(14-17)26-23(29)16-28-21-11-7-6-10-19(21)27-24(28)25-15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,29).
What are the key properties of 2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 9119353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).