N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide

C27H20F2N4O2 — CID 70964325

IUPACN-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccc4nc(C)n(-c5ccc(F)cc5)c4c3)cc2F)cn1
InChIInChI=1S/C27H20F2N4O2/c1-16-3-10-22(15-30-16)35-26-12-7-20(14-23(26)29)32-27(34)18-4-11-24-25(13-18)33(17(2)31-24)21-8-5-19(28)6-9-21/h3-15H,1-2H3,(H,32,34)
InChIKeyXSLJCVMUEZSZMF-UHFFFAOYSA-N
MW470.48 g/mol
LogP6.36
Rot. Bonds5

About N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide

N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide (PubChem CID 70964325) has the molecular formula C27H20F2N4O2 and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide
PubChem CID70964325
Molecular FormulaC27H20F2N4O2
Molecular Weight470.48 g/mol
Exact Mass470.16
IUPAC NameN-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccc4nc(C)n(-c5ccc(F)cc5)c4c3)cc2F)cn1
InChIInChI=1S/C27H20F2N4O2/c1-16-3-10-22(15-30-16)35-26-12-7-20(14-23(26)29)32-27(34)18-4-11-24-25(13-18)33(17(2)31-24)21-8-5-19(28)6-9-21/h3-15H,1-2H3,(H,32,34)
InChIKeyXSLJCVMUEZSZMF-UHFFFAOYSA-N
XLogP6.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 70964135
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-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4-dimethoxybenzamide
CID 5035579
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide
CID 143868988
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
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 123855499
4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide
CID 107033145

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide (CID 70964325) is N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3ccc4nc(C)n(-c5ccc(F)cc5)c4c3)cc2F)cn1.
What is the InChIKey of N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide?
The InChIKey is XSLJCVMUEZSZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O2/c1-16-3-10-22(15-30-16)35-26-12-7-20(14-23(26)29)32-27(34)18-4-11-24-25(13-18)33(17(2)31-24)21-8-5-19(28)6-9-21/h3-15H,1-2H3,(H,32,34).
What are the key properties of N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide?
N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 70964325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).