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

C13H14F3N3O — CID 91832737

IUPAC4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
SMILESCc1ccc2nc(CNC(=O)CCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C13H14F3N3O/c1-8-2-3-9-10(6-8)19-11(18-9)7-17-12(20)4-5-13(14,15)16/h2-3,6H,4-5,7H2,1H3,(H,17,20)(H,18,19)
InChIKeyIWHFZZVOQAHXSL-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.83
Rot. Bonds4

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

4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide (PubChem CID 91832737) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
PubChem CID91832737
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
SMILESCc1ccc2nc(CNC(=O)CCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C13H14F3N3O/c1-8-2-3-9-10(6-8)19-11(18-9)7-17-12(20)4-5-13(14,15)16/h2-3,6H,4-5,7H2,1H3,(H,17,20)(H,18,19)
InChIKeyIWHFZZVOQAHXSL-UHFFFAOYSA-N
XLogP2.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257984
4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
CID 124749354
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-ethyl-3-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]propanamide
CID 91831683
(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 92708257
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185454
N-(1H-benzimidazol-2-ylmethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 18105244
2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
CID 30158519
2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride
CID 120991479

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide (CID 91832737) is 4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide is Cc1ccc2nc(CNC(=O)CCC(F)(F)F)[nH]c2c1.
What is the InChIKey of 4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide?
The InChIKey is IWHFZZVOQAHXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8-2-3-9-10(6-8)19-11(18-9)7-17-12(20)4-5-13(14,15)16/h2-3,6H,4-5,7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide?
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide has a molecular weight of 285.27 g/mol, XLogP of 2.83, 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-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 91832737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).