5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide

C19H24BrN5O2 — CID 171534769

IUPAC5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide
SMILESCOC(C)Cc1nc2c(C)c(Br)ccc2n1C.Cc1cnc(C(N)=O)cn1
InChIInChI=1S/C13H17BrN2O.C6H7N3O/c1-8(17-4)7-12-15-13-9(2)10(14)5-6-11(13)16(12)3;1-4-2-9-5(3-8-4)6(7)10/h5-6,8H,7H2,1-4H3;2-3H,1H3,(H2,7,10)
InChIKeyQNHXOOGMUTYZDH-UHFFFAOYSA-N
MW434.34 g/mol
LogP3.11
Rot. Bonds4

About 5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide

5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide (PubChem CID 171534769) has the molecular formula C19H24BrN5O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide
PubChem CID171534769
Molecular FormulaC19H24BrN5O2
Molecular Weight434.34 g/mol
Exact Mass433.11
IUPAC Name5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide
SMILESCOC(C)Cc1nc2c(C)c(Br)ccc2n1C.Cc1cnc(C(N)=O)cn1
InChIInChI=1S/C13H17BrN2O.C6H7N3O/c1-8(17-4)7-12-15-13-9(2)10(14)5-6-11(13)16(12)3;1-4-2-9-5(3-8-4)6(7)10/h5-6,8H,7H2,1-4H3;2-3H,1H3,(H2,7,10)
InChIKeyQNHXOOGMUTYZDH-UHFFFAOYSA-N
XLogP3.11
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide?
The IUPAC name of 5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide (CID 171534769) is 5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide is COC(C)Cc1nc2c(C)c(Br)ccc2n1C.Cc1cnc(C(N)=O)cn1.
What is the InChIKey of 5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide?
The InChIKey is QNHXOOGMUTYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O.C6H7N3O/c1-8(17-4)7-12-15-13-9(2)10(14)5-6-11(13)16(12)3;1-4-2-9-5(3-8-4)6(7)10/h5-6,8H,7H2,1-4H3;2-3H,1H3,(H2,7,10).
What are the key properties of 5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide?
5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide has a molecular weight of 434.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxypropyl)-1,4-dimethylbenzimidazole;5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 171534769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).