1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine

C13H12F3N5 — CID 115502072

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCn1cc(Cn2c(N)nc3cc(C(F)(F)F)ccc32)cn1
InChIInChI=1S/C13H12F3N5/c1-20-6-8(5-18-20)7-21-11-3-2-9(13(14,15)16)4-10(11)19-12(21)17/h2-6H,7H2,1H3,(H2,17,19)
InChIKeyHGJJNPNWLOGBCC-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.42
Rot. Bonds2

About 1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine

1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 115502072) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID115502072
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCn1cc(Cn2c(N)nc3cc(C(F)(F)F)ccc32)cn1
InChIInChI=1S/C13H12F3N5/c1-20-6-8(5-18-20)7-21-11-3-2-9(13(14,15)16)4-10(11)19-12(21)17/h2-6H,7H2,1H3,(H2,17,19)
InChIKeyHGJJNPNWLOGBCC-UHFFFAOYSA-N
XLogP2.42
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 18522078
1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502131
1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 19390948
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502083
3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 115502066
1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502056
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
6-bromo-3-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306206
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847943

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine (CID 115502072) is 1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine is Cn1cc(Cn2c(N)nc3cc(C(F)(F)F)ccc32)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is HGJJNPNWLOGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c1-20-6-8(5-18-20)7-21-11-3-2-9(13(14,15)16)4-10(11)19-12(21)17/h2-6H,7H2,1H3,(H2,17,19).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine?
1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 295.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 115502072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).