methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate

C26H20N4O2 — CID 44528696

IUPACmethyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cc(-c4cccc(-c5ccccc5)c4)cnc3N)[nH]c2c1
InChIInChI=1S/C26H20N4O2/c1-32-26(31)19-10-11-22-23(14-19)30-25(29-22)21-13-20(15-28-24(21)27)18-9-5-8-17(12-18)16-6-3-2-4-7-16/h2-15H,1H3,(H2,27,28)(H,29,30)
InChIKeyAVRXSHIAGAEFRF-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.33
Rot. Bonds4

About methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate

methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate (PubChem CID 44528696) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate
PubChem CID44528696
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Namemethyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cc(-c4cccc(-c5ccccc5)c4)cnc3N)[nH]c2c1
InChIInChI=1S/C26H20N4O2/c1-32-26(31)19-10-11-22-23(14-19)30-25(29-22)21-13-20(15-28-24(21)27)18-9-5-8-17(12-18)16-6-3-2-4-7-16/h2-15H,1H3,(H2,27,28)(H,29,30)
InChIKeyAVRXSHIAGAEFRF-UHFFFAOYSA-N
XLogP5.33
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Brd4770
CID 72193870
ethyl 2-[4-(1-piperidyl)phenyl]-1H-benzimidazole-5-carboxylate
CID 126720627
4-Amino-benzoic acid 3-(1H-naphtho[2,3-d]imidazol-2-yl)-propyl ester
CID 3147224
Methyl 1-phenyl-1H-benzo[d]imidazole-5-carboxylate
CID 5328469
methyl 2-[(ethylcarbamoyl)amino]-5-(pyridin-3-yl)-1H-1,3-benzodiazole-7-carboxylate
CID 9840840
3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic Acid
CID 58266559
[3-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] acetate
CID 20739985
methyl 4-(6-(diisopentylcarbamoyl)-1-(3-(piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2-ylamino)benzoate
CID 44432941
methyl 3-[[9-(4,6-dimethylpyrimidin-2-yl)-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]methyl]-1H-indole-5-carboxylate
CID 56970421
5-[[[2-methyl-5-[[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylicacid,methylester
CID 68796885
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
methyl 4-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]benzoate
CID 3795763

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate (CID 44528696) is methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3cc(-c4cccc(-c5ccccc5)c4)cnc3N)[nH]c2c1.
What is the InChIKey of methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate?
The InChIKey is AVRXSHIAGAEFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-32-26(31)19-10-11-22-23(14-19)30-25(29-22)21-13-20(15-28-24(21)27)18-9-5-8-17(12-18)16-6-3-2-4-7-16/h2-15H,1H3,(H2,27,28)(H,29,30).
What are the key properties of methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate?
methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 44528696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).