1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine

C12H13N5 — CID 82875518

IUPAC1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine
SMILESCn1ccc(Cn2cnc3cc(N)ccc32)n1
InChIInChI=1S/C12H13N5/c1-16-5-4-10(15-16)7-17-8-14-11-6-9(13)2-3-12(11)17/h2-6,8H,7,13H2,1H3
InChIKeyYWSCWGNHHNLBKM-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.40
Rot. Bonds2

About 1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine

1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine (PubChem CID 82875518) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine
PubChem CID82875518
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine
SMILESCn1ccc(Cn2cnc3cc(N)ccc32)n1
InChIInChI=1S/C12H13N5/c1-16-5-4-10(15-16)7-17-8-14-11-6-9(13)2-3-12(11)17/h2-6,8H,7,13H2,1H3
InChIKeyYWSCWGNHHNLBKM-UHFFFAOYSA-N
XLogP1.40
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.40
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-(pyrazin-2-ylmethyl)benzimidazol-5-amine
CID 171785134
1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine
CID 112671985
1-[(4-ethylphenyl)methyl]benzimidazol-5-amine
CID 106900793
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine
CID 55080035
1-benzylbenzimidazol-5-amine;trihydrochloride
CID 53422372
1-[(2-ethylphenyl)methyl]benzimidazol-5-amine
CID 64694587
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-[(2-bromophenyl)methyl]benzimidazol-5-amine
CID 62508387
1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 62506051

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine (CID 82875518) is 1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine is Cn1ccc(Cn2cnc3cc(N)ccc32)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine?
The InChIKey is YWSCWGNHHNLBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-16-5-4-10(15-16)7-17-8-14-11-6-9(13)2-3-12(11)17/h2-6,8H,7,13H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine?
1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine has a molecular weight of 227.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 82875518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).