4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine

C15H16N4O — CID 114701193

IUPAC4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2Cc1ccncc1C
InChIInChI=1S/C15H16N4O/c1-10-8-17-7-6-11(10)9-19-12-4-3-5-13(20-2)14(12)18-15(19)16/h3-8H,9H2,1-2H3,(H2,16,18)
InChIKeyZODWDZXIVWPSMW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.38
Rot. Bonds3

About 4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine

4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine (PubChem CID 114701193) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
PubChem CID114701193
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2Cc1ccncc1C
InChIInChI=1S/C15H16N4O/c1-10-8-17-7-6-11(10)9-19-12-4-3-5-13(20-2)14(12)18-15(19)16/h3-8H,9H2,1-2H3,(H2,16,18)
InChIKeyZODWDZXIVWPSMW-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine (CID 114701193) is 4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine is COc1cccc2c1nc(N)n2Cc1ccncc1C.
What is the InChIKey of 4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine?
The InChIKey is ZODWDZXIVWPSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-8-17-7-6-11(10)9-19-12-4-3-5-13(20-2)14(12)18-15(19)16/h3-8H,9H2,1-2H3,(H2,16,18).
What are the key properties of 4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine?
4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 114701193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).