1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine

C14H17N5 — CID 66489588

IUPAC1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCc1nn(-c2nc3ccccc3[nH]2)c(C)c1C(C)N
InChIInChI=1S/C14H17N5/c1-8(15)13-9(2)18-19(10(13)3)14-16-11-6-4-5-7-12(11)17-14/h4-8H,15H2,1-3H3,(H,16,17)
InChIKeyVUAZFJYBHIDIHR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.39
Rot. Bonds2

About 1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine

1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine (PubChem CID 66489588) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine
PubChem CID66489588
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCc1nn(-c2nc3ccccc3[nH]2)c(C)c1C(C)N
InChIInChI=1S/C14H17N5/c1-8(15)13-9(2)18-19(10(13)3)14-16-11-6-4-5-7-12(11)17-14/h4-8H,15H2,1-3H3,(H,16,17)
InChIKeyVUAZFJYBHIDIHR-UHFFFAOYSA-N
XLogP2.39
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole
CID 14174648
[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate
CID 16585211
methanamine;2-methyl-1H-benzimidazole
CID 143453689
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
CID 2426865
(1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride
CID 155939196
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
2-methyl-1H-benzimidazole
CID 11984
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
1-(1H-benzimidazol-2-yl)-6-(2-hydroxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 16584409
2-propan-2-yl-1H-benzimidazole
CID 22121
2-pyrazol-1-yl-1H-benzimidazole
CID 639420

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine (CID 66489588) is 1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine is Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1C(C)N.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is VUAZFJYBHIDIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-8(15)13-9(2)18-19(10(13)3)14-16-11-6-4-5-7-12(11)17-14/h4-8H,15H2,1-3H3,(H,16,17).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine?
1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 66489588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).