5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine

C15H14BrN5O — CID 143359539

IUPAC5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine
SMILES[H]/N=C(\c1nc2c(COC)cccc2[nH]1)c1cc(Br)cnc1N
InChIInChI=1S/C15H14BrN5O/c1-22-7-8-3-2-4-11-13(8)21-15(20-11)12(17)10-5-9(16)6-19-14(10)18/h2-6,17H,7H2,1H3,(H2,18,19)(H,20,21)/b17-12-
InChIKeyYPMITHXSKPAJTM-ATVHPVEESA-N
MW360.22 g/mol
LogP2.87
Rot. Bonds4

About 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine

5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine (PubChem CID 143359539) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine
PubChem CID143359539
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC Name5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine
SMILES[H]/N=C(\c1nc2c(COC)cccc2[nH]1)c1cc(Br)cnc1N
InChIInChI=1S/C15H14BrN5O/c1-22-7-8-3-2-4-11-13(8)21-15(20-11)12(17)10-5-9(16)6-19-14(10)18/h2-6,17H,7H2,1H3,(H2,18,19)(H,20,21)/b17-12-
InChIKeyYPMITHXSKPAJTM-ATVHPVEESA-N
XLogP2.87
TPSA100.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine (CID 143359539) is 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine is [H]/N=C(\c1nc2c(COC)cccc2[nH]1)c1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine?
The InChIKey is YPMITHXSKPAJTM-ATVHPVEESA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-22-7-8-3-2-4-11-13(8)21-15(20-11)12(17)10-5-9(16)6-19-14(10)18/h2-6,17H,7H2,1H3,(H2,18,19)(H,20,21)/b17-12-.
What are the key properties of 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine?
5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine has a molecular weight of 360.22 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine is sourced from PubChem (CID 143359539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).