7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole

C13H16ClN3O — CID 60785896

IUPAC7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole
SMILESCOC1CNC(c2nc3cccc(Cl)c3n2C)C1
InChIInChI=1S/C13H16ClN3O/c1-17-12-9(14)4-3-5-10(12)16-13(17)11-6-8(18-2)7-15-11/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyPWWMPMHNESJOOU-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.28
Rot. Bonds2

About 7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole

7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole (PubChem CID 60785896) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole
PubChem CID60785896
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole
SMILESCOC1CNC(c2nc3cccc(Cl)c3n2C)C1
InChIInChI=1S/C13H16ClN3O/c1-17-12-9(14)4-3-5-10(12)16-13(17)11-6-8(18-2)7-15-11/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyPWWMPMHNESJOOU-UHFFFAOYSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole?
The IUPAC name of 7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole (CID 60785896) is 7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole.
What is the SMILES notation for 7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole?
The canonical SMILES for 7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole is COC1CNC(c2nc3cccc(Cl)c3n2C)C1.
What is the InChIKey of 7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole?
The InChIKey is PWWMPMHNESJOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-17-12-9(14)4-3-5-10(12)16-13(17)11-6-8(18-2)7-15-11/h3-5,8,11,15H,6-7H2,1-2H3.
What are the key properties of 7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole?
7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole has a molecular weight of 265.74 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole is sourced from PubChem (CID 60785896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).