ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate

C30H25FN4O4 — CID 70964135

IUPACethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc3nc(C)n(-c4ccc(F)cc4)c3c2)ccc1Oc1ccc(C)nc1
InChIInChI=1S/C30H25FN4O4/c1-4-38-30(37)25-16-22(9-14-28(25)39-24-12-5-18(2)32-17-24)34-29(36)20-6-13-26-27(15-20)35(19(3)33-26)23-10-7-21(31)8-11-23/h5-17H,4H2,1-3H3,(H,34,36)
InChIKeyJINYKZAKCKCIIX-UHFFFAOYSA-N
MW524.55 g/mol
LogP6.40
Rot. Bonds7

About ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate

ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate (PubChem CID 70964135) has the molecular formula C30H25FN4O4 and a molecular weight of 524.55 g/mol. Its IUPAC name is ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate
PubChem CID70964135
Molecular FormulaC30H25FN4O4
Molecular Weight524.55 g/mol
Exact Mass524.19
IUPAC Nameethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc3nc(C)n(-c4ccc(F)cc4)c3c2)ccc1Oc1ccc(C)nc1
InChIInChI=1S/C30H25FN4O4/c1-4-38-30(37)25-16-22(9-14-28(25)39-24-12-5-18(2)32-17-24)34-29(36)20-6-13-26-27(15-20)35(19(3)33-26)23-10-7-21(31)8-11-23/h5-17H,4H2,1-3H3,(H,34,36)
InChIKeyJINYKZAKCKCIIX-UHFFFAOYSA-N
XLogP6.40
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.55
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate 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

N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide
CID 70964325
3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide
CID 143868930
3-(4-fluorophenyl)-2-methyl-N-[4-[(4-methyl-1,3-dioxetan-2-yl)methyl]phenyl]benzimidazole-5-carboxamide
CID 70964298
N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 70964039
3-(4-fluorophenyl)-N-[4-(indazol-2-ylmethyl)phenyl]-2-methylbenzimidazole-5-carboxamide
CID 70964233
N-[4-(2-carbamoylphenoxy)phenyl]-2,3-dimethylbenzimidazole-5-carboxamide
CID 166155672
1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
CID 62073432
ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059327
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide
CID 143868988
[6-[[4-(diethylcarbamoyl)phenyl]carbamoyl]-1-(4-fluorophenyl)benzimidazol-2-yl]methyl acetate
CID 143868854
ethyl 5-[(4-fluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556567
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4-dimethoxybenzamide
CID 5035579

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate?
The IUPAC name of ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate (CID 70964135) is ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate.
What is the SMILES notation for ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate?
The canonical SMILES for ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate is CCOC(=O)c1cc(NC(=O)c2ccc3nc(C)n(-c4ccc(F)cc4)c3c2)ccc1Oc1ccc(C)nc1.
What is the InChIKey of ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate?
The InChIKey is JINYKZAKCKCIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O4/c1-4-38-30(37)25-16-22(9-14-28(25)39-24-12-5-18(2)32-17-24)34-29(36)20-6-13-26-27(15-20)35(19(3)33-26)23-10-7-21(31)8-11-23/h5-17H,4H2,1-3H3,(H,34,36).
What are the key properties of ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate?
ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate has a molecular weight of 524.55 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate is sourced from PubChem (CID 70964135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).