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

C24H30FN3O — CID 93301621

IUPAC(2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide
SMILESCC[C@H](C(=O)NCC(C)C)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21
InChIInChI=1S/C24H30FN3O/c1-6-21(24(29)26-14-15(2)3)28-22-12-17(5)16(4)11-20(22)27-23(28)13-18-7-9-19(25)10-8-18/h7-12,15,21H,6,13-14H2,1-5H3,(H,26,29)/t21-/m1/s1
InChIKeyKTEUVCQLRFQQMG-OAQYLSRUSA-N
MW395.52 g/mol
LogP5.11
Rot. Bonds7

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

(2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide (PubChem CID 93301621) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is (2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide
PubChem CID93301621
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name(2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide
SMILESCC[C@H](C(=O)NCC(C)C)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21
InChIInChI=1S/C24H30FN3O/c1-6-21(24(29)26-14-15(2)3)28-22-12-17(5)16(4)11-20(22)27-23(28)13-18-7-9-19(25)10-8-18/h7-12,15,21H,6,13-14H2,1-5H3,(H,26,29)/t21-/m1/s1
InChIKeyKTEUVCQLRFQQMG-OAQYLSRUSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butanamide
CID 93301671
(2S)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)butanamide
CID 97037004
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]pentanamide
CID 93301269
(2S)-N-(3,4-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]pentanamide
CID 93301277
(2R)-N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenylacetamide
CID 93301332
(2S)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 93301129
(2S)-2-[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 93301530
(2R)-2-(2-benzyl-5,6-dimethylbenzimidazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 93301649
(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
2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 83279576
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 83281530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide?
The IUPAC name of (2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide (CID 93301621) is (2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for (2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide?
The canonical SMILES for (2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide is CC[C@H](C(=O)NCC(C)C)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21.
What is the InChIKey of (2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide?
The InChIKey is KTEUVCQLRFQQMG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-6-21(24(29)26-14-15(2)3)28-22-12-17(5)16(4)11-20(22)27-23(28)13-18-7-9-19(25)10-8-18/h7-12,15,21H,6,13-14H2,1-5H3,(H,26,29)/t21-/m1/s1.
What are the key properties of (2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide?
(2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide has a molecular weight of 395.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 93301621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).