4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide

C20H21F3N4O — CID 119701514

IUPAC4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide
SMILESCNCCCC(=O)NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C20H21F3N4O/c1-24-11-5-8-17(28)27-18(13-6-3-2-4-7-13)14-9-10-15-16(12-14)26-19(25-15)20(21,22)23/h2-4,6-7,9-10,12,18,24H,5,8,11H2,1H3,(H,25,26)(H,27,28)
InChIKeyCGTSONGSSAVFJN-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.79
Rot. Bonds7

About 4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide

4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide (PubChem CID 119701514) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide
PubChem CID119701514
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide
SMILESCNCCCC(=O)NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C20H21F3N4O/c1-24-11-5-8-17(28)27-18(13-6-3-2-4-7-13)14-9-10-15-16(12-14)26-19(25-15)20(21,22)23/h2-4,6-7,9-10,12,18,24H,5,8,11H2,1H3,(H,25,26)(H,27,28)
InChIKeyCGTSONGSSAVFJN-UHFFFAOYSA-N
XLogP3.79
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 47020380
2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 42936148
N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 31036833
3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide
CID 18284494
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 74632950
N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furan-2-carboxamide
CID 25358436
5-methyl-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrazine-2-carboxamide
CID 25388479
6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide
CID 55518967
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 33364847
(3S)-1,1-dioxo-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]thiolane-3-carboxamide
CID 51930137
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 33364380
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 33364374

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide (CID 119701514) is 4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide is CNCCCC(=O)NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide?
The InChIKey is CGTSONGSSAVFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-24-11-5-8-17(28)27-18(13-6-3-2-4-7-13)14-9-10-15-16(12-14)26-19(25-15)20(21,22)23/h2-4,6-7,9-10,12,18,24H,5,8,11H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide?
4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide has a molecular weight of 390.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]butanamide is sourced from PubChem (CID 119701514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).