1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine

C13H15N5 — CID 114251461

IUPAC1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine
SMILESCC(C)n1ccc(-n2cnc3cc(N)ccc32)n1
InChIInChI=1S/C13H15N5/c1-9(2)18-6-5-13(16-18)17-8-15-11-7-10(14)3-4-12(11)17/h3-9H,14H2,1-2H3
InChIKeySAVBMDJDTFXHLH-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.39
Rot. Bonds2

About 1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine

1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine (PubChem CID 114251461) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine
PubChem CID114251461
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine
SMILESCC(C)n1ccc(-n2cnc3cc(N)ccc32)n1
InChIInChI=1S/C13H15N5/c1-9(2)18-6-5-13(16-18)17-8-15-11-7-10(14)3-4-12(11)17/h3-9H,14H2,1-2H3
InChIKeySAVBMDJDTFXHLH-UHFFFAOYSA-N
XLogP2.39
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)benzimidazol-5-amine
CID 62508491
1-(6-bromo-2-pyridinyl)benzimidazol-5-amine
CID 58217164
1-N-propan-2-ylbenzimidazole-1,5-diamine
CID 141134927
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate
CID 114251426
1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine
CID 59783942
1-methylsulfonylbenzimidazol-5-amine
CID 134294706
1-(2-methylpentan-3-yl)benzimidazol-5-amine
CID 62506261
1-thiophen-3-ylbenzimidazol-5-amine
CID 66355194
1-[3-(dimethylamino)phenyl]benzimidazol-5-amine
CID 115379111
1-naphthalen-2-ylbenzimidazol-5-amine
CID 62507384
1-(3-methylpentan-2-yl)benzimidazol-5-amine
CID 62506740

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine (CID 114251461) is 1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine is CC(C)n1ccc(-n2cnc3cc(N)ccc32)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine?
The InChIKey is SAVBMDJDTFXHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9(2)18-6-5-13(16-18)17-8-15-11-7-10(14)3-4-12(11)17/h3-9H,14H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine?
1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine has a molecular weight of 241.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)benzimidazol-5-amine is sourced from PubChem (CID 114251461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).