3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide

C26H25FN4O3 — CID 143868930

IUPAC3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccc(C(=O)NC(C)(C)CO)cc3)cc2n1-c1ccc(F)cc1
InChIInChI=1S/C26H25FN4O3/c1-16-28-22-13-6-18(14-23(22)31(16)21-11-7-19(27)8-12-21)24(33)29-20-9-4-17(5-10-20)25(34)30-26(2,3)15-32/h4-14,32H,15H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyMOHRVFLPXPUFDZ-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.23
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide

3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide (PubChem CID 143868930) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide
PubChem CID143868930
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccc(C(=O)NC(C)(C)CO)cc3)cc2n1-c1ccc(F)cc1
InChIInChI=1S/C26H25FN4O3/c1-16-28-22-13-6-18(14-23(22)31(16)21-11-7-19(27)8-12-21)24(33)29-20-9-4-17(5-10-20)25(34)30-26(2,3)15-32/h4-14,32H,15H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyMOHRVFLPXPUFDZ-UHFFFAOYSA-N
XLogP4.23
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-2-methyl-N-[4-[(4-methyl-1,3-dioxetan-2-yl)methyl]phenyl]benzimidazole-5-carboxamide
CID 70964298
3-(4-fluorophenyl)-N-[4-(indazol-2-ylmethyl)phenyl]-2-methylbenzimidazole-5-carboxamide
CID 70964233
N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide
CID 70964325
N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 70964039
ethyl 5-[[3-(4-fluorophenyl)-2-methylbenzimidazole-5-carbonyl]amino]-2-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 70964135
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
N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide
CID 58284883
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
3-(4-bromophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82791461
N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide
CID 164940318
1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide (CID 143868930) is 3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)Nc3ccc(C(=O)NC(C)(C)CO)cc3)cc2n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide?
The InChIKey is MOHRVFLPXPUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-16-28-22-13-6-18(14-23(22)31(16)21-11-7-19(27)8-12-21)24(33)29-20-9-4-17(5-10-20)25(34)30-26(2,3)15-32/h4-14,32H,15H2,1-3H3,(H,29,33)(H,30,34).
What are the key properties of 3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide?
3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 143868930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).