2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine

C16H16N4 — CID 62506035

IUPAC2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C1CC1)n2Cc1cccnc1
InChIInChI=1S/C16H16N4/c17-13-5-6-15-14(8-13)19-16(12-3-4-12)20(15)10-11-2-1-7-18-9-11/h1-2,5-9,12H,3-4,10,17H2
InChIKeyXERHUXISFBESCK-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.94
Rot. Bonds3

About 2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine

2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine (PubChem CID 62506035) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
PubChem CID62506035
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C1CC1)n2Cc1cccnc1
InChIInChI=1S/C16H16N4/c17-13-5-6-15-14(8-13)19-16(12-3-4-12)20(15)10-11-2-1-7-18-9-11/h1-2,5-9,12H,3-4,10,17H2
InChIKeyXERHUXISFBESCK-UHFFFAOYSA-N
XLogP2.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(pyridin-3-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine (CID 62506035) is 2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine is Nc1ccc2c(c1)nc(C1CC1)n2Cc1cccnc1.
What is the InChIKey of 2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine?
The InChIKey is XERHUXISFBESCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-13-5-6-15-14(8-13)19-16(12-3-4-12)20(15)10-11-2-1-7-18-9-11/h1-2,5-9,12H,3-4,10,17H2.
What are the key properties of 2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine?
2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine has a molecular weight of 264.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 62506035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).