1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine

C15H16N4O — CID 18630978

IUPAC1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine
SMILESCCn1c(N)nc2cc(-c3cc(OC)ccn3)ccc21
InChIInChI=1S/C15H16N4O/c1-3-19-14-5-4-10(8-13(14)18-15(19)16)12-9-11(20-2)6-7-17-12/h4-9H,3H2,1-2H3,(H2,16,18)
InChIKeyFSIOXJRXZPNLIM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.71
Rot. Bonds3

About 1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine

1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine (PubChem CID 18630978) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine
PubChem CID18630978
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine
SMILESCCn1c(N)nc2cc(-c3cc(OC)ccn3)ccc21
InChIInChI=1S/C15H16N4O/c1-3-19-14-5-4-10(8-13(14)18-15(19)16)12-9-11(20-2)6-7-17-12/h4-9H,3H2,1-2H3,(H2,16,18)
InChIKeyFSIOXJRXZPNLIM-UHFFFAOYSA-N
XLogP2.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine?
The IUPAC name of 1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine (CID 18630978) is 1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine?
The canonical SMILES for 1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine is CCn1c(N)nc2cc(-c3cc(OC)ccn3)ccc21.
What is the InChIKey of 1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine?
The InChIKey is FSIOXJRXZPNLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-19-14-5-4-10(8-13(14)18-15(19)16)12-9-11(20-2)6-7-17-12/h4-9H,3H2,1-2H3,(H2,16,18).
What are the key properties of 1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine?
1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methoxy-2-pyridinyl)benzimidazol-2-amine is sourced from PubChem (CID 18630978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).