1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine

C13H15N5 — CID 112671985

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine
SMILESCc1nn(C)cc1Cn1cnc2cc(N)ccc21
InChIInChI=1S/C13H15N5/c1-9-10(6-17(2)16-9)7-18-8-15-12-5-11(14)3-4-13(12)18/h3-6,8H,7,14H2,1-2H3
InChIKeyUERLOTCGXXAZBI-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.71
Rot. Bonds2

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine

1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine (PubChem CID 112671985) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine
PubChem CID112671985
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine
SMILESCc1nn(C)cc1Cn1cnc2cc(N)ccc21
InChIInChI=1S/C13H15N5/c1-9-10(6-17(2)16-9)7-18-8-15-12-5-11(14)3-4-13(12)18/h3-6,8H,7,14H2,1-2H3
InChIKeyUERLOTCGXXAZBI-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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-[(2-ethylphenyl)methyl]benzimidazol-5-amine
CID 64694587
1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine
CID 82875518
1-[(2-bromophenyl)methyl]benzimidazol-5-amine
CID 62508387
1-[(4-ethylphenyl)methyl]benzimidazol-5-amine
CID 106900793
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
1-[(2,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 63362760
1-benzylbenzimidazol-5-amine;trihydrochloride
CID 53422372
4-(5-aminobenzimidazol-1-yl)butan-2-ol
CID 64912560
3-(5-aminobenzimidazol-1-yl)propan-1-ol
CID 6504205
1-[(4-fluorophenyl)methyl]benzimidazol-5-amine;trihydrochloride
CID 76853822
1-(pyrazin-2-ylmethyl)benzimidazol-5-amine
CID 171785134
1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 62506051

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine (CID 112671985) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine is Cc1nn(C)cc1Cn1cnc2cc(N)ccc21.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine?
The InChIKey is UERLOTCGXXAZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9-10(6-17(2)16-9)7-18-8-15-12-5-11(14)3-4-13(12)18/h3-6,8H,7,14H2,1-2H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine has a molecular weight of 241.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 112671985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).