[3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine

C12H13N5 — CID 113444392

IUPAC[3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine
SMILESCn1c(-c2cn[nH]c2)nc2ccc(CN)cc21
InChIInChI=1S/C12H13N5/c1-17-11-4-8(5-13)2-3-10(11)16-12(17)9-6-14-15-7-9/h2-4,6-7H,5,13H2,1H3,(H,14,15)
InChIKeyCXJMLEWNBVYGEE-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.42
Rot. Bonds2

About [3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine

[3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine (PubChem CID 113444392) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is [3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine
PubChem CID113444392
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name[3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine
SMILESCn1c(-c2cn[nH]c2)nc2ccc(CN)cc21
InChIInChI=1S/C12H13N5/c1-17-11-4-8(5-13)2-3-10(11)16-12(17)9-6-14-15-7-9/h2-4,6-7H,5,13H2,1H3,(H,14,15)
InChIKeyCXJMLEWNBVYGEE-UHFFFAOYSA-N
XLogP1.42
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine (CID 113444392) is [3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine is Cn1c(-c2cn[nH]c2)nc2ccc(CN)cc21.
What is the InChIKey of [3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine?
The InChIKey is CXJMLEWNBVYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-17-11-4-8(5-13)2-3-10(11)16-12(17)9-6-14-15-7-9/h2-4,6-7H,5,13H2,1H3,(H,14,15).
What are the key properties of [3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine?
[3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine has a molecular weight of 227.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 113444392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).