(2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide

C30H25F2N3O — CID 93301332

IUPAC(2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide
SMILESCc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)c2cc1C
InChIInChI=1S/C30H25F2N3O/c1-19-16-26-27(17-20(19)2)35(28(34-26)18-21-8-10-23(31)11-9-21)29(22-6-4-3-5-7-22)30(36)33-25-14-12-24(32)13-15-25/h3-17,29H,18H2,1-2H3,(H,33,36)/t29-/m1/s1
InChIKeyVQYKNOFOBQRKIC-GDLZYMKVSA-N
MW481.55 g/mol
LogP6.75
Rot. Bonds6

About (2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide

(2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide (PubChem CID 93301332) has the molecular formula C30H25F2N3O and a molecular weight of 481.55 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide
PubChem CID93301332
Molecular FormulaC30H25F2N3O
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC Name(2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide
SMILESCc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)c2cc1C
InChIInChI=1S/C30H25F2N3O/c1-19-16-26-27(17-20(19)2)35(28(34-26)18-21-8-10-23(31)11-9-21)29(22-6-4-3-5-7-22)30(36)33-25-14-12-24(32)13-15-25/h3-17,29H,18H2,1-2H3,(H,33,36)/t29-/m1/s1
InChIKeyVQYKNOFOBQRKIC-GDLZYMKVSA-N
XLogP6.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 93301129
(2S)-N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]pentanamide
CID 93301277
(2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide
CID 93301621
(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide
CID 93301671
(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 93301649
(2S)-N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301399
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]pentanamide
CID 93301269
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
(2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 97037081
1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one
CID 83279397
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide (CID 93301332) is (2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide is Cc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)c2cc1C.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide?
The InChIKey is VQYKNOFOBQRKIC-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H25F2N3O/c1-19-16-26-27(17-20(19)2)35(28(34-26)18-21-8-10-23(31)11-9-21)29(22-6-4-3-5-7-22)30(36)33-25-14-12-24(32)13-15-25/h3-17,29H,18H2,1-2H3,(H,33,36)/t29-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide?
(2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide has a molecular weight of 481.55 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide is sourced from PubChem (CID 93301332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).