2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine

C17H20N4 — CID 62506716

IUPAC2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CCc1ccncc1
InChIInChI=1S/C17H20N4/c1-2-3-17-20-15-12-14(18)4-5-16(15)21(17)11-8-13-6-9-19-10-7-13/h4-7,9-10,12H,2-3,8,11,18H2,1H3
InChIKeyFYYFWXNVZMNRST-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.21
Rot. Bonds5

About 2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine

2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine (PubChem CID 62506716) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
PubChem CID62506716
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CCc1ccncc1
InChIInChI=1S/C17H20N4/c1-2-3-17-20-15-12-14(18)4-5-16(15)21(17)11-8-13-6-9-19-10-7-13/h4-7,9-10,12H,2-3,8,11,18H2,1H3
InChIKeyFYYFWXNVZMNRST-UHFFFAOYSA-N
XLogP3.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.21
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-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine?
The IUPAC name of 2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine (CID 62506716) is 2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine?
The canonical SMILES for 2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1CCc1ccncc1.
What is the InChIKey of 2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine?
The InChIKey is FYYFWXNVZMNRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-3-17-20-15-12-14(18)4-5-16(15)21(17)11-8-13-6-9-19-10-7-13/h4-7,9-10,12H,2-3,8,11,18H2,1H3.
What are the key properties of 2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine?
2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine has a molecular weight of 280.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine is sourced from PubChem (CID 62506716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).