4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide

C14H16F3N3O — CID 124749354

IUPAC4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
SMILESCc1ccc2nc([C@@H](C)NC(=O)CCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C14H16F3N3O/c1-8-3-4-10-11(7-8)20-13(19-10)9(2)18-12(21)5-6-14(15,16)17/h3-4,7,9H,5-6H2,1-2H3,(H,18,21)(H,19,20)/t9-/m1/s1
InChIKeyAKKNFGVGZGJESE-SECBINFHSA-N
MW299.30 g/mol
LogP3.39
Rot. Bonds4

About 4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide

4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide (PubChem CID 124749354) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
PubChem CID124749354
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
SMILESCc1ccc2nc([C@@H](C)NC(=O)CCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C14H16F3N3O/c1-8-3-4-10-11(7-8)20-13(19-10)9(2)18-12(21)5-6-14(15,16)17/h3-4,7,9H,5-6H2,1-2H3,(H,18,21)(H,19,20)/t9-/m1/s1
InChIKeyAKKNFGVGZGJESE-SECBINFHSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
CID 69315401
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474151
5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
CID 124755764
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea
CID 126449238
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 25356175
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide
CID 46601910
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 18116309
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide (CID 124749354) is 4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide is Cc1ccc2nc([C@@H](C)NC(=O)CCC(F)(F)F)[nH]c2c1.
What is the InChIKey of 4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide?
The InChIKey is AKKNFGVGZGJESE-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-8-3-4-10-11(7-8)20-13(19-10)9(2)18-12(21)5-6-14(15,16)17/h3-4,7,9H,5-6H2,1-2H3,(H,18,21)(H,19,20)/t9-/m1/s1.
What are the key properties of 4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide?
4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide has a molecular weight of 299.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 124749354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).