1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine

C16H18N4 — CID 828699

IUPAC1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine
SMILESCCCn1cnc2cc(NCc3ccccn3)ccc21
InChIInChI=1S/C16H18N4/c1-2-9-20-12-19-15-10-13(6-7-16(15)20)18-11-14-5-3-4-8-17-14/h3-8,10,12,18H,2,9,11H2,1H3
InChIKeyKFCSKMZRASTESH-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.45
Rot. Bonds5

About 1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine

1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine (PubChem CID 828699) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine
PubChem CID828699
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine
SMILESCCCn1cnc2cc(NCc3ccccn3)ccc21
InChIInChI=1S/C16H18N4/c1-2-9-20-12-19-15-10-13(6-7-16(15)20)18-11-14-5-3-4-8-17-14/h3-8,10,12,18H,2,9,11H2,1H3
InChIKeyKFCSKMZRASTESH-UHFFFAOYSA-N
XLogP3.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine (CID 828699) is 1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine is CCCn1cnc2cc(NCc3ccccn3)ccc21.
What is the InChIKey of 1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine?
The InChIKey is KFCSKMZRASTESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-9-20-12-19-15-10-13(6-7-16(15)20)18-11-14-5-3-4-8-17-14/h3-8,10,12,18H,2,9,11H2,1H3.
What are the key properties of 1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine?
1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine has a molecular weight of 266.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 828699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).