(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide

C25H25FN4O — CID 51688226

IUPAC(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide
SMILESCc1ccc2nc(Cc3ccc(NC(=O)[C@H](c4ccc(F)cc4)N(C)C)cc3)[nH]c2c1
InChIInChI=1S/C25H25FN4O/c1-16-4-13-21-22(14-16)29-23(28-21)15-17-5-11-20(12-6-17)27-25(31)24(30(2)3)18-7-9-19(26)10-8-18/h4-14,24H,15H2,1-3H3,(H,27,31)(H,28,29)/t24-/m0/s1
InChIKeyNXYYCBBRVLONLB-DEOSSOPVSA-N
MW416.50 g/mol
LogP4.84
Rot. Bonds6

About (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide

(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide (PubChem CID 51688226) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide
PubChem CID51688226
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide
SMILESCc1ccc2nc(Cc3ccc(NC(=O)[C@H](c4ccc(F)cc4)N(C)C)cc3)[nH]c2c1
InChIInChI=1S/C25H25FN4O/c1-16-4-13-21-22(14-16)29-23(28-21)15-17-5-11-20(12-6-17)27-25(31)24(30(2)3)18-7-9-19(26)10-8-18/h4-14,24H,15H2,1-3H3,(H,27,31)(H,28,29)/t24-/m0/s1
InChIKeyNXYYCBBRVLONLB-DEOSSOPVSA-N
XLogP4.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 91775402
2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 46328885
N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 24557244
2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol
CID 81431671
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758
1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea
CID 155114131
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide
CID 99987005
(2R)-N-[4-(dimethylamino)phenyl]-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]-2-(4-fluorophenyl)acetamide
CID 2721823
methyl 2-[(4-propan-2-ylphenyl)methyl]-3H-benzimidazole-5-carboxylate
CID 145226546
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290730
2-cyclopentyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46290733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide (CID 51688226) is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide is Cc1ccc2nc(Cc3ccc(NC(=O)[C@H](c4ccc(F)cc4)N(C)C)cc3)[nH]c2c1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide?
The InChIKey is NXYYCBBRVLONLB-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-16-4-13-21-22(14-16)29-23(28-21)15-17-5-11-20(12-6-17)27-25(31)24(30(2)3)18-7-9-19(26)10-8-18/h4-14,24H,15H2,1-3H3,(H,27,31)(H,28,29)/t24-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide?
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide has a molecular weight of 416.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 51688226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).