2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine

C14H15N5 — CID 79786529

IUPAC2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine
SMILESCn1cc(-n2c(C3CC3)nc3cc(N)ccc32)cn1
InChIInChI=1S/C14H15N5/c1-18-8-11(7-16-18)19-13-5-4-10(15)6-12(13)17-14(19)9-2-3-9/h4-9H,2-3,15H2,1H3
InChIKeyUTGLBFQYSRAOJY-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.22
Rot. Bonds2

About 2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine

2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine (PubChem CID 79786529) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine
PubChem CID79786529
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine
SMILESCn1cc(-n2c(C3CC3)nc3cc(N)ccc32)cn1
InChIInChI=1S/C14H15N5/c1-18-8-11(7-16-18)19-13-5-4-10(15)6-12(13)17-14(19)9-2-3-9/h4-9H,2-3,15H2,1H3
InChIKeyUTGLBFQYSRAOJY-UHFFFAOYSA-N
XLogP2.22
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine (CID 79786529) is 2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine is Cn1cc(-n2c(C3CC3)nc3cc(N)ccc32)cn1.
What is the InChIKey of 2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine?
The InChIKey is UTGLBFQYSRAOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-18-8-11(7-16-18)19-13-5-4-10(15)6-12(13)17-14(19)9-2-3-9/h4-9H,2-3,15H2,1H3.
What are the key properties of 2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine?
2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine has a molecular weight of 253.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine is sourced from PubChem (CID 79786529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).