[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine

C14H14N4O — CID 104721137

IUPAC[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine
SMILESCOc1ncccc1-c1nc2c(CN)cccc2[nH]1
InChIInChI=1S/C14H14N4O/c1-19-14-10(5-3-7-16-14)13-17-11-6-2-4-9(8-15)12(11)18-13/h2-7H,8,15H2,1H3,(H,17,18)
InChIKeyMXFOIJOMUJMJQR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.09
Rot. Bonds3

About [2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine

[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721137) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is [2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721137
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine
SMILESCOc1ncccc1-c1nc2c(CN)cccc2[nH]1
InChIInChI=1S/C14H14N4O/c1-19-14-10(5-3-7-16-14)13-17-11-6-2-4-9(8-15)12(11)18-13/h2-7H,8,15H2,1H3,(H,17,18)
InChIKeyMXFOIJOMUJMJQR-UHFFFAOYSA-N
XLogP2.09
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine (CID 104721137) is [2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine is COc1ncccc1-c1nc2c(CN)cccc2[nH]1.
What is the InChIKey of [2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is MXFOIJOMUJMJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-14-10(5-3-7-16-14)13-17-11-6-2-4-9(8-15)12(11)18-13/h2-7H,8,15H2,1H3,(H,17,18).
What are the key properties of [2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine?
[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 254.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).